{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,8]],"date-time":"2026-02-08T03:24:10Z","timestamp":1770521050346,"version":"3.49.0"},"reference-count":10,"publisher":"Oxford University Press (OUP)","issue":"14","license":[{"start":{"date-parts":[[2020,6,27]],"date-time":"2020-06-27T00:00:00Z","timestamp":1593216000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/501100001677","name":"INSERM","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001677","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Institut Pasteur Lille"},{"name":"I-Site Universit\u00e9 Lille Nord Europe"},{"DOI":"10.13039\/501100010095","name":"R\u00e9gion Hauts-de-France","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100010095","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,7,30]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Summary<\/jats:title>\n                  <jats:p>Several web-based tools predict the putative targets of a small molecule query compound by similarity to molecules with known bioactivity data using molecular fingerprints. In numerous situations, it would however be valuable to be able to run such computations on a local computer. We present FastTargetPred, a new program for the prediction of protein targets for small molecule queries. Structural similarity computations rely on a large collection of confirmed protein\u2013ligand activities extracted from the curated ChEMBL 25 database. The program allows to annotate an input chemical library of \u223c100k compounds within a few hours on a simple personal computer.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>FastTargetPred is written in Python 3 (\u22653.7) and C languages. Python code depends only on the Python Standard Library. The program can be run on Linux, MacOS and Windows operating systems. Pre-compiled versions are available at https:\/\/github.com\/ludovicchaput\/FastTargetPred. FastTargetPred is licensed under the GNU GPLv3. The program calls some scripts from the free chemistry toolkit MayaChemTools.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Contact<\/jats:title>\n                  <jats:p>bruno.villoutreix@inserm.fr<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btaa494","type":"journal-article","created":{"date-parts":[[2020,5,6]],"date-time":"2020-05-06T11:32:55Z","timestamp":1588764775000},"page":"4225-4226","source":"Crossref","is-referenced-by-count":9,"title":["FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases"],"prefix":"10.1093","volume":"36","author":[{"given":"Ludovic","family":"Chaput","sequence":"first","affiliation":[{"name":"Univ. Lille , Inserm, Institut Pasteur de Lille, U1177-Drugs and Molecules for Living Systems, Lille F-59000, France"}]},{"given":"Valentin","family":"Guillaume","sequence":"additional","affiliation":[{"name":"Univ. Lille , Inserm, Institut Pasteur de Lille, U1177-Drugs and Molecules for Living Systems, Lille F-59000, France"}]},{"given":"Natesh","family":"Singh","sequence":"additional","affiliation":[{"name":"Univ. Lille , Inserm, Institut Pasteur de Lille, U1177-Drugs and Molecules for Living Systems, Lille F-59000, France"}]},{"given":"Benoit","family":"Deprez","sequence":"additional","affiliation":[{"name":"Univ. Lille , Inserm, Institut Pasteur de Lille, U1177-Drugs and Molecules for Living Systems, Lille F-59000, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6456-7730","authenticated-orcid":false,"given":"Bruno O","family":"Villoutreix","sequence":"additional","affiliation":[{"name":"Univ. 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