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SwissTargetPrediction: a web server for target prediction of bioactive small molecules
Open accessAbstract
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.
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Cites
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Kola, I., & Landis, J. (2004) · Nature Reviews Drug Discovery · doi:10.1038/nrd1470 · Cited by 4,167
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Predicting new molecular targets for known drugs
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EnsemblCompara GeneTrees: Complete, duplication-aware phylogenetic trees in vertebrates
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Cited by
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Self-citationArtificial intelligence to deep learning: machine intelligence approach for drug discovery
Gupta, R., Srivastava, D., Sahu, M., Tiwari, S., Ambasta, R. K., & Kumar, P. (2021) · Molecular Diversity · doi:10.1007/s11030-021-10217-3 · Cited by 1,473
Counting on natural products for drug design
Rodrigues, T., Reker, D., Schneider, P., & Schneider, G. (2016) · Nature Chemistry · doi:10.1038/nchem.2479 · Cited by 1,250
Drug–target interaction prediction: databases, web servers and computational models
Chen, X., Yan, C. C., Zhang, X., Zhang, X., Dai, F., Yin, J., & Zhang, Y. (2016) · Briefings in Bioinformatics · doi:10.1093/bib/bbv066 · Cited by 658
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Metadata
- Authors
- Gfeller, D., Grosdidier, A., Wirth, M., Daina, A., Michielin, O., & Zoete, V.
- Venue
- Nucleic Acids Research
- Publisher
- Oxford University Press (OUP)
- Published
- 2014-05-03
- Volume
- 42
- Issue
- W1
- Pages
- W32-W38
- ISSN
- 0305-1048 (ISSN-L)
- 1362-4962
- OpenAlex
- W2168938595
- Cited by
- 1,791
- References
- 5
- FWCI
- 21.10
- Type
- journal article
- Language
- en
- Open access
- gold
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- Gfeller, D., Grosdidier, A., Wirth, M., Daina, A., Michielin, O., & Zoete, V. (2014). SwissTargetPrediction: a web server for target prediction of bioactive small molecules. Nucleic Acids Research. https://doi.org/10.1093/nar/gku293
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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