Add to ORKGWhereas drugs are intended to be selective, at least some bind to several physiologic targets, explaining both side effects and efficacy. As many drug-target combinations exist, it would be useful to explore possible interactions computationally. Here, we compared 3,665 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 associations. Users may view, print, copy, download and text and data- mine the content in such documents, for the purposes of academic research, subject always to the full Conditions of use
Most drugs exert their effects via multitarget interactions, as hypothesized by polypharmacology. Wh...
A number of supervised machine learning models have recently been introduced for the prediction of d...
Computational target prediction methods using chemical descriptors have been applied exhaustively in...
Whereas drugs are intended to be selective, at least some bind to several physiologic targets, expla...
Large-scale experimental determination of the protein targets of small molecules is both time-consum...
Close structural relationships between approved drugs and bioactive compounds were systematically a...
Computational prediction of compound-protein interactions generated a substantial amount of interest...
International audienceMany computational methods to predict the macromolecular targets of small orga...
The identification of protein function based on biological information is an area of intense researc...
Drug repositioning, or the identification of new indications for known drugs, is a useful strategy f...
Targets for drugs have so far been predicted on the basis of molecular or cellular features, for exa...
MOTIVATION: Most bioactive molecules perform their action by interacting with proteins or other macr...
Motivation: Most bioactive molecules perform their action by interacting with proteins or other macr...
The rapidly increasing amount of public data in chemistry and biology provides new opportunities for...
Combinatorial therapy is a promising strategy for combating complex disorders due to improved effica...
Most drugs exert their effects via multitarget interactions, as hypothesized by polypharmacology. Wh...
A number of supervised machine learning models have recently been introduced for the prediction of d...
Computational target prediction methods using chemical descriptors have been applied exhaustively in...
Whereas drugs are intended to be selective, at least some bind to several physiologic targets, expla...
Large-scale experimental determination of the protein targets of small molecules is both time-consum...
Close structural relationships between approved drugs and bioactive compounds were systematically a...
Computational prediction of compound-protein interactions generated a substantial amount of interest...
International audienceMany computational methods to predict the macromolecular targets of small orga...
The identification of protein function based on biological information is an area of intense researc...
Drug repositioning, or the identification of new indications for known drugs, is a useful strategy f...
Targets for drugs have so far been predicted on the basis of molecular or cellular features, for exa...
MOTIVATION: Most bioactive molecules perform their action by interacting with proteins or other macr...
Motivation: Most bioactive molecules perform their action by interacting with proteins or other macr...
The rapidly increasing amount of public data in chemistry and biology provides new opportunities for...
Combinatorial therapy is a promising strategy for combating complex disorders due to improved effica...
Most drugs exert their effects via multitarget interactions, as hypothesized by polypharmacology. Wh...
A number of supervised machine learning models have recently been introduced for the prediction of d...
Computational target prediction methods using chemical descriptors have been applied exhaustively in...