title: SwissTargetPrediction: a web server for target prediction of bioactive small molecules.
abstract: Bioactive small molecules, such as drugs or metabolites, bind to proteins or other macro-molecular targets to modulate their activity, which in turn results in the observed phenotypic effects. For this reason, mapping the targets of bioactive small molecules is a key step toward unraveling the molecular mechanisms underlying their bioactivity and predicting potential side effects or cross-reactivity. Recently, large datasets of protein-small molecule interactions have become available, providing a unique source of information for the development of knowledge-based approaches to computationally identify new targets for uncharacterized molecules or secondary targets for known molecules. Here, we introduce SwissTargetPrediction, a web server to accurately predict the targets of bioactive molecules based on a combination of 2D and 3D similarity measures with known ligands. Predictions can be carried out in five different organisms, and mapping predictions by homology within and between different species is enabled for close paralogs and orthologs. SwissTargetPrediction is accessible free of charge and without login requirement at http://www.swisstargetprediction.ch.
authors.affiliation: Swiss Institute of Bioinformatics (SIB), Quartier Sorge, Bâtiment Génopode, CH-1015 Lausanne, Switzerland.
authors.forename: David
authors.initials: D
authors.lastname: Gfeller
authors.affiliation: Swiss Institute of Bioinformatics (SIB), Quartier Sorge, Bâtiment Génopode, CH-1015 Lausanne, Switzerland.
authors.forename: Aurélien
authors.initials: A
authors.lastname: Grosdidier
authors.affiliation: Swiss Institute of Bioinformatics (SIB), Quartier Sorge, Bâtiment Génopode, CH-1015 Lausanne, Switzerland.
authors.forename: Matthias
authors.initials: M
authors.lastname: Wirth
authors.affiliation: Swiss Institute of Bioinformatics (SIB), Quartier Sorge, Bâtiment Génopode, CH-1015 Lausanne, Switzerland.
authors.forename: Antoine
authors.initials: A
authors.lastname: Daina
authors.affiliation: Swiss Institute of Bioinformatics (SIB), Quartier Sorge, Bâtiment Génopode, CH-1015 Lausanne, Switzerland Ludwig Institute for Cancer Research, Centre Hospitalier Universitaire Vaudois, Lausanne, Switzerland Oncology Department, Centre Hospitalier Universitaire Vaudois, Lausanne, Switzerland Olivier.Michielin@isb-sib.ch.
authors.forename: Olivier
authors.initials: O
authors.lastname: Michielin
authors.affiliation: Swiss Institute of Bioinformatics (SIB), Quartier Sorge, Bâtiment Génopode, CH-1015 Lausanne, Switzerland Olivier.Michielin@isb-sib.ch.
authors.forename: Vincent
authors.initials: V
authors.lastname: Zoete
mesh_terms: D000465:Algorithms; D000818:Animals; D002417:Cattle; D055808:Drug Discovery; D006801:Humans; D020407:Internet; D008024:Ligands; D051379:Mice; D004364:Pharmaceutical Preparations / Q000737:chemistry; D011506:Proteins / Q000737:chemistry* / Q000187:drug effects; D051381:Rats; D017386:Sequence Homology, Amino Acid; D012984:Software; D014584:User-Computer Interface
chemical_list: D008024:Ligands; D004364:Pharmaceutical Preparations; D011506:Proteins