{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,19]],"date-time":"2026-08-19T17:53:53Z","timestamp":1787162033163,"version":"build-2736575974"},"reference-count":10,"publisher":"American Chemical Society (ACS)","issue":"12","license":[{"start":{"date-parts":[[2020,7,16]],"date-time":"2020-07-16T00:00:00Z","timestamp":1594857600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-001"},{"start":{"date-parts":[[2020,7,16]],"date-time":"2020-07-16T00:00:00Z","timestamp":1594857600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-009"},{"start":{"date-parts":[[2020,7,16]],"date-time":"2020-07-16T00:00:00Z","timestamp":1594857600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"}],"funder":[{"DOI":"10.13039\/100010661","name":"Horizon 2020 Framework Programme","doi-asserted-by":"publisher","award":["101003633"],"award-info":[{"award-number":["101003633"]}],"id":[{"id":"10.13039\/100010661","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,12,28]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Until a vaccine becomes available, the current repertoire of drugs is our only therapeutic asset to fight the SARS-CoV-2 outbreak. Indeed, emergency clinical trials have been launched to assess the effectiveness of many marketed drugs, tackling the decrease of viral load through several mechanisms. Here, we present an online resource, based on small-molecule bioactivity signatures and natural language processing, to expand the portfolio of compounds with potential to treat COVID-19. By comparing the set of drugs reported to be potentially active against SARS-CoV-2 to a universe of 1 million bioactive molecules, we identify compounds that display analogous chemical and functional features to the current COVID-19 candidates. Searches can be filtered by level of evidence and mechanism of action, and results can be restricted to drug molecules or include the much broader space of bioactive compounds. Moreover, we allow users to contribute COVID-19 drug candidates, which are automatically incorporated to the pipeline once per day. The computational platform, as well as the source code, is available at https:\/\/sbnb.irbbarcelona.org\/covid19.<\/jats:p>","DOI":"10.1021\/acs.jcim.0c00420","type":"journal-article","created":{"date-parts":[[2020,7,16]],"date-time":"2020-07-16T10:10:31Z","timestamp":1594894231000},"page":"5730-5734","source":"Crossref","is-referenced-by-count":4,"title":["Bioactivity Profile Similarities to Expand the Repertoire\nof COVID-19 Drugs"],"prefix":"10.1021","volume":"60","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9906-6936","authenticated-orcid":true,"given":"Miquel","family":"Duran-Frigola","sequence":"first","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Martino","family":"Bertoni","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Roi","family":"Blanco","sequence":"additional","affiliation":[{"name":"Amazon Search Science and AI , , ,","place":["Barcelona, Catalonia, Spain, 08018"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vi\u0301ctor","family":"Marti\u0301nez","sequence":"additional","affiliation":[{"name":"Amazon Search Science and AI , , ,","place":["Barcelona, Catalonia, Spain, 08018"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eduardo","family":"Pauls","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vi\u0301ctor","family":"Alcalde","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gemma","family":"Turon","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nu\u0301ria","family":"Villegas","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adria\u0300","family":"Ferna\u0301ndez-Torras","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carles","family":"Pons","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li\u0301dia","family":"Mateo","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Oriol","family":"Guitart-Pla","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pau","family":"Badia-i-Mompel","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aleix","family":"Gimeno","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nicolas","family":"Soler","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Isabelle","family":"Brun-Heath","sequence":"additional","affiliation":[{"name":"Joint IRB-BSC-CRG Program in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona) , , Baldiri Reixac 10-12 , , ,","place":["Barcelona, Catalonia, Spain, 08020"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hugo","family":"Zaragoza","sequence":"additional","affiliation":[{"name":"Amazon Search Science and AI , , ,","place":["Barcelona, Catalonia, Spain, 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Med."},{"key":"2026081804362081000_cit6","doi-asserted-by":"publisher","first-page":"2327","DOI":"10.1056\/NEJMoa2007016","article-title":"Compassionate\nUse of Remdesivir for Patients with Severe Covid-19","volume":"382","author":"Grein","year":"2020","journal-title":"N. Engl. J. Med."},{"key":"2026081804362081000_cit7","article-title":"Quantifying\ntreatment effects of hydroxychoroquine and azithromycin for COVID-19:\na secondary analysis of an open label non-randomized clinical trial","author":"Lover","year":"2020","journal-title":"medRxiv"},{"key":"2026081804362081000_cit8","doi-asserted-by":"publisher","DOI":"10.1038\/s41587-020-0502-7","article-title":"Extending the small molecule similarity\nprinciple to all levels of biology with the Chemical Checker","author":"Duran-Frigola","year":"2020","journal-title":"Nat. Biotechnol."},{"key":"2026081804362081000_cit9","unstructured":"https:\/\/allenai.org\/data\/cord-19."},{"key":"2026081804362081000_cit10","doi-asserted-by":"publisher","first-page":"D930","DOI":"10.1093\/nar\/gky1075","article-title":"ChEMBL:\ntowards direct deposition of bioassay data","volume":"47","author":"Mendez","year":"2019","journal-title":"Nucleic Acids Res."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c00420","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article-pdf\/60\/12\/5730\/9617537\/ci0c00420.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article-pdf\/60\/12\/5730\/9617537\/ci0c00420.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T09:09:21Z","timestamp":1787044161000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article\/60\/12\/5730\/890649\/Bioactivity-Profile-Similarities-to-Expand-the"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,7,16]]},"references-count":10,"journal-issue":{"issue":"12","published-online":{"date-parts":[[2020,7,16]]},"published-print":{"date-parts":[[2020,12,28]]}},"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c00420","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv.12178923","asserted-by":"object"},{"id-type":"doi","id":"10.26434\/chemrxiv.12178923.v1","asserted-by":"object"},{"id-type":"doi","id":"10.26434\/chemrxiv.12178923.v2","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,7,16]]}}}