is a webserver for target prediction of bioactive small molecules in human and
other vertebrates in order to understand the molecular mechanisms underlying a given phenotype or
bioactivity, to rationalize possible side-effects or to predict off-targets of known molecules.
Using a combination of 2D and 3D similarity measures, it compares the query molecule to a library of
280'000 compounds active on more than 2000 targets of 5 different organisms.
- 5 available organisms (Homo sapiens, Mus musculus, Rattus norvegicus, Bos taurus, Equus caballus)
- Rapid prediction from a SMILES
- For each query molecule, identification of the most similar molecules among a set of more than
300'000 known ligands from the ChEMBL database (version 16), which is the largest publicly available
database of interactions between small molecules and proteins
- Targets ranked according to a score that combines both 2D and 3D similarity values with the ligands
most similar to the query molecule
- Combination of different similarity measures for better accuracy and exploration of larger
- SwissTargetPrediction: a webserver for target prediction of bioactive small molecules, Nucl. Acids
Res. (2014) (PDF)
- Shaping the interaction landscape of bioactive molecules, Bioinformatics (2013) 29:3073-3079 (PDF)
is developed and copyrighted by SIB Swiss Institute of Bioinformatics and its
exclusive commercial representative GeneBio.
Access is free for non-commercial use. Access by commercial entities is subject to the licensing conditions outlined in the GeneBio License
Please contact us for further details.