Ontology highlight
ABSTRACT:
SUBMITTER: Keiser MJ
PROVIDER: S-EPMC2784146 | biostudies-literature | 2009 Nov
REPOSITORIES: biostudies-literature
Keiser Michael J MJ Setola Vincent V Irwin John J JJ Laggner Christian C Abbas Atheir I AI Hufeisen Sandra J SJ Jensen Niels H NH Kuijer Michael B MB Matos Roberto C RC Tran Thuy B TB Whaley Ryan R Glennon Richard A RA Hert Jérôme J Thomas Kelan L H KL Edwards Douglas D DD Shoichet Brian K BK Roth Bryan L BL
Nature 20091101 7270
Although drugs are intended to be selective, at least some bind to several physiological targets, explaining side effects and efficacy. Because many drug-target combinations exist, it would be useful to explore possible interactions computationally. Here we compared 3,665 US Food and Drug Administration (FDA)-approved and investigational drugs against hundreds of targets, defining each target by its ligands. Chemical similarities between drugs and ligand sets predicted thousands of unanticipated ...[more]