{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T08:06:40Z","timestamp":1777277200161,"version":"3.51.4"},"reference-count":44,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2011,5,13]],"date-time":"2011-05-13T00:00:00Z","timestamp":1305244800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Cheminform"],"published-print":{"date-parts":[[2011,12]]},"DOI":"10.1186\/1758-2946-3-14","type":"journal-article","created":{"date-parts":[[2011,5,13]],"date-time":"2011-05-13T18:33:56Z","timestamp":1305311636000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":31,"title":["Analysis of in vitrobioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds"],"prefix":"10.1186","volume":"3","author":[{"given":"Christopher","family":"Southan","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kiran","family":"Boppana","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sarma ARP","family":"Jagarlapudi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sorel","family":"Muresan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2011,5,13]]},"reference":[{"issue":"9","key":"198_CR1","doi-asserted-by":"publisher","first-page":"727","DOI":"10.1038\/nrd892","volume":"1","author":"AL Hopkins","year":"2002","unstructured":"Hopkins AL, Groom CR: The druggable genome. Nat Rev Drug Discov. 2002, 1 (9): 727-730. 10.1038\/nrd892.","journal-title":"Nat Rev Drug Discov"},{"issue":"12","key":"198_CR2","doi-asserted-by":"publisher","first-page":"993","DOI":"10.1038\/nrd2199","volume":"5","author":"JP Overington","year":"2006","unstructured":"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there?. Nat Rev Drug Discov. 2006, 5 (12): 993-996. 10.1038\/nrd2199.","journal-title":"Nat Rev Drug Discov"},{"issue":"suppl 1","key":"198_CR3","doi-asserted-by":"crossref","first-page":"D901","DOI":"10.1093\/nar\/gkm958","volume":"36","author":"DS Wishart","year":"2008","unstructured":"Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M: DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Research. 2008, 36 (suppl 1): D901-906.","journal-title":"Nucleic Acids Research"},{"issue":"1","key":"198_CR4","doi-asserted-by":"publisher","first-page":"412","DOI":"10.1093\/nar\/30.1.412","volume":"30","author":"X Chen","year":"2002","unstructured":"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Research. 2002, 30 (1): 412-415. 10.1093\/nar\/30.1.412.","journal-title":"Nucleic Acids Research"},{"issue":"suppl 1","key":"198_CR5","doi-asserted-by":"publisher","first-page":"D198","DOI":"10.1093\/nar\/gkl999","volume":"35","author":"T Liu","year":"2007","unstructured":"Liu T, Lin Y, Wen X, Jorissen RN, Gilson MK: BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities. Nucleic Acids Research. 2007, 35 (suppl 1): D198-201.","journal-title":"Nucleic Acids Research"},{"key":"198_CR6","unstructured":"ChEMBL. (accessed Sep 10, 2010), [http:\/\/www.ebi.ac.uk\/chembldb\/index.php]"},{"key":"198_CR7","volume-title":"Biocomputing and Drug Discovery","author":"S Muresan","year":"2011","unstructured":"Muresan S, Sitzmann M, Southan C: Mapping Between Databases of Compounds and Protein Targets. Biocomputing and Drug Discovery. Edited by: Larson RS. 2011,"},{"key":"198_CR8","unstructured":"GVK BIO. (accessed Sep 10, 2010), [http:\/\/www.gvkbio.com]"},{"key":"198_CR9","unstructured":"About GOSTAR. (accessed Sep 10, 2010), [http:\/\/gostardb.com\/gostar\/doc\/HyperlinkDownloadPDF.pdf]"},{"key":"198_CR10","doi-asserted-by":"publisher","first-page":"159","DOI":"10.1007\/978-1-60761-274-2_6","volume-title":"Chemogenomics: Methods and Applications (Methods in Molecular Biology, vol 575)","author":"SARP Jagarlapudi","year":"2009","unstructured":"Jagarlapudi SARP, Kishan KVR: Database Systems for Knowledge-Based Discovery. Chemogenomics: Methods and Applications (Methods in Molecular Biology, vol 575). Edited by: Jacoby E. 2009, New York: Humana Press, 159-172."},{"issue":"11","key":"198_CR11","doi-asserted-by":"publisher","first-page":"881","DOI":"10.1038\/nrd2445","volume":"6","author":"PD Leeson","year":"2007","unstructured":"Leeson PD, Springthorpe B: The influence of drug-like concepts on decision-making in medicinal chemistry. Nat Rev Drug Discov. 2007, 6 (11): 881-890. 10.1038\/nrd2445.","journal-title":"Nat Rev Drug Discov"},{"issue":"24","key":"198_CR12","doi-asserted-by":"publisher","first-page":"6943","DOI":"10.1016\/j.bmcl.2009.10.068","volume":"19","author":"C Tyrchan","year":"2009","unstructured":"Tyrchan C, Blomberg N, Engkvist O, Kogej T, Muresan S: Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds. Bioorg Med Chem Lett. 2009, 19 (24): 6943-6947. 10.1016\/j.bmcl.2009.10.068.","journal-title":"Bioorg Med Chem Lett"},{"issue":"21","key":"198_CR13","doi-asserted-by":"publisher","first-page":"6505","DOI":"10.1021\/jm901241e","volume":"52","author":"F Lovering","year":"2009","unstructured":"Lovering F, Bikker J, Humblet C: Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success. J Med Chem. 2009, 52 (21): 6505-6950. 10.1021\/jm9008136.","journal-title":"J Med Chem"},{"issue":"2","key":"198_CR14","doi-asserted-by":"publisher","first-page":"308","DOI":"10.1021\/ci800344p","volume":"49","author":"J Scheiber","year":"2009","unstructured":"Scheiber J, Chen B, Milik M, Sukuru SC, Bender A, Mikhailov D, Whitebread S, Hamon J, Azzaoui K, Urban L, Glick M, Davies JW, Jenkins JL: Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis. J Chem Inf Model. 2009, 49 (2): 308-317. 10.1021\/ci800344p.","journal-title":"J Chem Inf Model"},{"issue":"15","key":"198_CR15","doi-asserted-by":"publisher","first-page":"1502","DOI":"10.2174\/156802607782194761","volume":"7","author":"C Southan","year":"2007","unstructured":"Southan C, Varkonyi P, Muresan S: Complementarity Between Public and Commercial Databases: New Opportunities in Medicinal Chemistry Informatics. Curr Topics Med Chem. 2007, 7 (15): 1502-1508. 10.2174\/156802607782194761.","journal-title":"Curr Topics Med Chem"},{"key":"198_CR16","doi-asserted-by":"publisher","first-page":"10","DOI":"10.1186\/1758-2946-1-10","volume":"1","author":"C Southan","year":"2009","unstructured":"Southan C, Varkonyi P, Muresan S: Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds. J Cheminfo. 2009, 1: 10-10.1186\/1758-2946-1-10.","journal-title":"J Cheminfo"},{"key":"198_CR17","doi-asserted-by":"publisher","first-page":"51","DOI":"10.1007\/978-1-60761-175-2_3","volume-title":"Protein Networks and Pathway Analysis (Methods in Molecular Biology vol 563, part 1)","author":"S Devidas","year":"2009","unstructured":"Devidas S: Curation of inhibitor-target data: process and impact on pathway analysis. Protein Networks and Pathway Analysis (Methods in Molecular Biology vol 563, part 1). Edited by: Nikolsky Y, Bryant J. 2009, New York: Human Press, 51-62."},{"key":"198_CR18","unstructured":"History of InChI. (accessed Sep 10, 2010), [http:\/\/www.inchi-trust.org\/index.php?q=node\/2]"},{"issue":"suppl 1","key":"198_CR19","doi-asserted-by":"publisher","first-page":"D52","DOI":"10.1093\/nar\/gkq1237","volume":"39","author":"D Maglott","year":"2011","unstructured":"Maglott D, Ostell J, Pruitt KD, Tatusova T: Entrez Gene: gene-centered information at NCBI. Nucleic Acids Research. 2011, 39 (suppl 1): D52-D57.","journal-title":"Nucleic Acids Research"},{"issue":"8","key":"198_CR20","doi-asserted-by":"publisher","first-page":"857","DOI":"10.1517\/17460440903049290","volume":"4","author":"L Harland","year":"2009","unstructured":"Harland L, Gaulton A: Drug target central. Expert Opinion on Drug Discovery. 2009, 4 (8): 857-872. 10.1517\/17460440903049290.","journal-title":"Expert Opinion on Drug Discovery"},{"issue":"11","key":"198_CR21","doi-asserted-by":"publisher","first-page":"682","DOI":"10.1038\/nchembio.118","volume":"4","author":"AL Hopkins","year":"2008","unstructured":"Hopkins AL: Network pharmacology: the next paradigm in drug discovery. Nat Chem Biol. 2008, 4 (11): 682-690. 10.1038\/nchembio.118.","journal-title":"Nat Chem Biol"},{"issue":"1","key":"198_CR22","doi-asserted-by":"publisher","first-page":"101","DOI":"10.1146\/annurev.pharmtox.46.120604.141254","volume":"46","author":"K Mackie","year":"2006","unstructured":"Mackie K: Cannabinoid receptors as therapeutic targets. Annu Rev Pharmacol Toxicol. 2006, 46 (1): 101-122. 10.1146\/annurev.pharmtox.46.120604.141254.","journal-title":"Annu Rev Pharmacol Toxicol"},{"issue":"1","key":"198_CR23","doi-asserted-by":"publisher","first-page":"259","DOI":"10.1016\/j.febslet.2004.11.085","volume":"579","author":"E Ryberg","year":"2005","unstructured":"Ryberg E, Vu HK, Larsson N, Groblewski T, Hjorth S, Elebring T, Sj\u00f6gren S, Greasley PJ: Identification and characterisation of a novel splice variant of the human CB1 receptor. FEBS Letters. 2005, 579 (1): 259-264. 10.1016\/j.febslet.2004.11.085.","journal-title":"FEBS Letters"},{"issue":"7","key":"198_CR24","doi-asserted-by":"publisher","first-page":"973","DOI":"10.1016\/j.addr.2004.12.013","volume":"57","author":"Y Yasuda","year":"2005","unstructured":"Yasuda Y, Kaleta J, Br\u00f6mme D: The role of cathepsins in osteoporosis and arthritis: Rationale for the design of new therapeutics. Adv Drug Deliv Rev. 2005, 57 (7): 973-993. 10.1016\/j.addr.2004.12.013.","journal-title":"Adv Drug Deliv Rev"},{"key":"198_CR25","doi-asserted-by":"publisher","first-page":"965","DOI":"10.2174\/138920008786485083","volume":"9","author":"MR Bowlby","year":"2008","unstructured":"Bowlby MR, Peri R, Zhang H, Dunlop J: hERG (KCNH2 or Kv11.1) K Channels: Screening for Cardiac Arrhythmia Risk. Curr Drug Metab. 2008, 9: 965-970. 10.2174\/138920008786485083.","journal-title":"Curr Drug Metab"},{"issue":"1-2","key":"198_CR26","doi-asserted-by":"publisher","first-page":"16","DOI":"10.1002\/minf.200900075","volume":"29","author":"B Fabio","year":"2010","unstructured":"Fabio B, Emanuele C, Gabriele C, Tudor IO: Transporter-Mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target. Molecular Informatics. 2010, 29 (1-2): 16-26. 10.1002\/minf.200900075.","journal-title":"Molecular Informatics"},{"issue":"9600","key":"198_CR27","doi-asserted-by":"publisher","first-page":"1706","DOI":"10.1016\/S0140-6736(07)61721-8","volume":"370","author":"R Christensen","year":"2007","unstructured":"Christensen R, Kristensen PK, Bartels EM, Bliddal H, Astrup A: Efficacy and safety of the weight-loss drug rimonabant: a meta-analysis of randomised trials. The Lancet. 2007, 370 (9600): 1706-1713. 10.1016\/S0140-6736(07)61721-8.","journal-title":"The Lancet"},{"issue":"4","key":"198_CR28","doi-asserted-by":"publisher","first-page":"364","DOI":"10.1097\/HCO.0b013e32832ac166","volume":"24","author":"T Joy","year":"2008","unstructured":"Joy T, Hegele RA: The end of the road for CETP inhibitors after torcetrapib?. Current Opinion in Cardiology. 2008, 24 (4): 364-371.","journal-title":"Current Opinion in Cardiology"},{"issue":"25","key":"198_CR29","doi-asserted-by":"publisher","first-page":"2406","DOI":"10.1056\/NEJMoa1009744","volume":"363","author":"CP Cannon","year":"2010","unstructured":"Cannon CP, Shah S, Dansky HM, Davidson M, Brinton EA, Gotto AM, Stepanavage M, Liu SX, Gibbons P, Ashraf TB, Zafarino J, Mitchel Y, Barter P, Determining the Efficacy and Tolerability Investigators: Safety of Anacetrapib in Patients with or at High Risk for Coronary Heart Disease. New England Journal of Medicine. 2010, 363 (25): 2406-2415. 10.1056\/NEJMoa1009744.","journal-title":"New England Journal of Medicine"},{"issue":"4","key":"198_CR30","doi-asserted-by":"publisher","first-page":"357","DOI":"10.1016\/j.cbpa.2006.06.014","volume":"10","author":"TH Keller","year":"2006","unstructured":"Keller TH, Pichota A, Yin Z: A practical view of 'druggability'. Curr Opin Chem Biol. 2006, 10 (4): 357-361. 10.1016\/j.cbpa.2006.06.014.","journal-title":"Curr Opin Chem Biol"},{"issue":"15","key":"198_CR31","doi-asserted-by":"publisher","first-page":"2887","DOI":"10.1021\/jm9602928","volume":"39","author":"GW Bemis","year":"1996","unstructured":"Bemis GW, Murcko MA: The Properties of Known Drugs. 1. Molecular Frameworks. Journal of Medicinal Chemistry. 1996, 39 (15): 2887-2893. 10.1021\/jm9602928.","journal-title":"Journal of Medicinal Chemistry"},{"issue":"4","key":"198_CR32","doi-asserted-by":"crossref","first-page":"912","DOI":"10.1021\/ci025535l","volume":"42","author":"YJ Xu","year":"2002","unstructured":"Xu YJ, Johnson M: Using Molecular Equivalence Numbers To Visually Explore Structural Features that Distinguish Chemical Libraries. Journal of Chemical Information and Computer Sciences. 2002, 42 (4): 912-926.","journal-title":"Journal of Chemical Information and Computer Sciences"},{"issue":"1","key":"198_CR33","doi-asserted-by":"publisher","first-page":"47","DOI":"10.1021\/ci600338x","volume":"47","author":"A Schuffenhauer","year":"2007","unstructured":"Schuffenhauer A, Ertl P, Roggo S, Wetzel S, Koch MA, Waldmann H: The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification. J Chem Inf Model. 2007, 47 (1): 47-58. 10.1021\/ci600338x.","journal-title":"J Chem Inf Model"},{"issue":"8","key":"198_CR34","doi-asserted-by":"publisher","first-page":"581","DOI":"10.1038\/nchembio.187","volume":"5","author":"S Wetzel","year":"2009","unstructured":"Wetzel S, Klein K, Renner S, Rauh D, Oprea TI, Mutzel P, Waldmann H: Interactive exploration of chemical space with Scaffold Hunter. Nat Chem Biol. 2009, 5 (8): 581-583.","journal-title":"Nat Chem Biol"},{"issue":"25","key":"198_CR35","doi-asserted-by":"publisher","first-page":"6144","DOI":"10.1021\/jm049654z","volume":"47","author":"JL Jenkins","year":"2004","unstructured":"Jenkins JL, Glick M, Davies JW: A 3D similarity method for scaffold hopping from the known drugs or natural ligands to new chemotypes. Journal of Medicinal Chemistry. 2004, 47 (25): 6144-6159. 10.1021\/jm049654z.","journal-title":"Journal of Medicinal Chemistry"},{"issue":"2","key":"198_CR36","doi-asserted-by":"publisher","first-page":"187","DOI":"10.1002\/cmdc.200900419","volume":"5","author":"H Ye","year":"2010","unstructured":"Ye H, J\u00fcrgen B: Scaffold Distributions in Bioactive Molecules, Clinical Trials Compounds, and Drugs. ChemMedChem. 2010, 5 (2): 187-190. 10.1002\/cmdc.200900419.","journal-title":"ChemMedChem"},{"issue":"3","key":"198_CR37","doi-asserted-by":"publisher","first-page":"389","DOI":"10.1007\/s11030-006-9033-5","volume":"10","author":"A Monge","year":"2006","unstructured":"Monge A, Arrault A, Marot C, Morin-Allory L: Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers. Molecular Diversity. 2006, 10 (3): 389-403. 10.1007\/s11030-006-9033-5.","journal-title":"Molecular Diversity"},{"issue":"21","key":"198_CR38","doi-asserted-by":"publisher","first-page":"7709","DOI":"10.1021\/jm1008456","volume":"53","author":"Y Yang","year":"2010","unstructured":"Yang Y, Chen H, Nilsson I, Muresan S, Engkvist O: Investigation of the Relationship between Topology and Selectivity for Druglike Molecules. Journal of Medicinal Chemistry. 2010, 53 (21): 7709-7714. 10.1021\/jm1008456.","journal-title":"Journal of Medicinal Chemistry"},{"issue":"12","key":"198_CR39","doi-asserted-by":"publisher","first-page":"2141","DOI":"10.1021\/ci1002558","volume":"50","author":"H Chen","year":"2010","unstructured":"Chen H, Yang Y, Engkvist O: Molecular Topology Analysis of the Differences between Drugs, Clinical Candidate Compounds, and Bioactive Molecules. Journal of Chemical Information and Modeling. 2010, 50 (12): 2141-2150. 10.1021\/ci1002558.","journal-title":"Journal of Chemical Information and Modeling"},{"issue":"7-8","key":"198_CR40","doi-asserted-by":"publisher","first-page":"284","DOI":"10.1016\/j.drudis.2011.02.002","volume":"16","author":"FNB Edfeldt","year":"2011","unstructured":"Edfeldt FNB, Breeze AL, Folmer RHA: Fragment screening to predict druggability (ligandability) and lead discovery success. Drug Discovery Today. 2011, 16 (7-8): 284-7. 10.1016\/j.drudis.2011.02.002.","journal-title":"Drug Discovery Today"},{"issue":"1-2","key":"198_CR41","doi-asserted-by":"publisher","first-page":"3","DOI":"10.1016\/j.drudis.2009.09.011","volume":"15","author":"SJ Campbell","year":"2010","unstructured":"Campbell SJ, Gaulton A, Marshall J, Bichko D, Martin S, Brouwer C, Harland L: Visualizing the drug target landscape. Drug Discovery Today. 2010, 15 (1-2): 3-15. 10.1016\/j.drudis.2009.09.011.","journal-title":"Drug Discovery Today"},{"issue":"suppl 1","key":"198_CR42","doi-asserted-by":"publisher","first-page":"D255","DOI":"10.1093\/nar\/gkp965","volume":"38","author":"Y Wang","year":"2010","unstructured":"Wang Y, Bolton E, Dracheva S, Karapetyan K, Shoemaker BA, Suzek TO, Wang J, Xiao J, Zhang J, Bryant SH: An overview of the PubChem BioAssay resource. Nucleic Acids Research. 2010, 38 (suppl 1): D255-D266.","journal-title":"Nucleic Acids Research"},{"issue":"23-24","key":"198_CR43","doi-asserted-by":"publisher","first-page":"1052","DOI":"10.1016\/j.drudis.2010.10.003","volume":"15","author":"Q Li","year":"2010","unstructured":"Li Q, Cheng T, Wang Y, Bryant S: PubChem as a public resource for drug discovery. Drug Discovery Today. 2010, 15 (23-24): 1052-7. 10.1016\/j.drudis.2010.10.003.","journal-title":"Drug Discovery Today"},{"issue":"7","key":"198_CR44","doi-asserted-by":"publisher","first-page":"805","DOI":"10.1038\/nbt1228","volume":"24","author":"GV Paolini","year":"2006","unstructured":"Paolini GV, Shapland RHB, van Hoorn WP, Mason JS, Hopkins AL: Global mapping of pharmacological space. Nat Biotechnol. 2006, 24 (7): 805-815. 10.1038\/nbt1228.","journal-title":"Nat Biotechnol"}],"container-title":["Journal of Cheminformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1186\/1758-2946-3-14.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1186\/1758-2946-3-14\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1186\/1758-2946-3-14.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,9,1]],"date-time":"2021-09-01T14:04:36Z","timestamp":1630505076000},"score":1,"resource":{"primary":{"URL":"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/1758-2946-3-14"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011,5,13]]},"references-count":44,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2011,12]]}},"alternative-id":["198"],"URL":"https:\/\/doi.org\/10.1186\/1758-2946-3-14","relation":{},"ISSN":["1758-2946"],"issn-type":[{"value":"1758-2946","type":"electronic"}],"subject":[],"published":{"date-parts":[[2011,5,13]]},"assertion":[{"value":"14 March 2011","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"13 May 2011","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"13 May 2011","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}}],"article-number":"14"}}