How to predict credible targets?

metaTarFisher hopes to find the most credible target by using different target prediction methods and also their unique advantages. Therefore, all predicted results can be obtained by inputting only one query compound structure.

Step 1: Input SMILES



Step 2: Click to predict credible targets


Note: Different prediction methods will cost at most 10 minutes, be patient to wait until all the tasks finished.




Step 3: Analyze targets

References

  • Keiser MJ, Roth BL, Armbruster BN, et al. Relating protein pharmacology by ligand chemistry. Nature Biotechnology. 2007;25:197-206. DOI: 10.1038/nbt1284
  • Gfeller D, Grosdidier A, Wirth M, et al. SwissTargetPrediction: a web server for target prediction of bioactive small molecules. Nucleic Acids Research. 2014;42:W32-8. DOI: 10.1093/nar/gku293
  • Awale M, Reymond JL. Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning. Journal of Chemical Information and Modeling. 2019;59:10-7. DOI: 10.1021/acs.jcim.8b00524
  • Awale M, Reymond JL. The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data. Journal of Cheminformatics. 2017;9:11. DOI: 10.1186/s13321-017-0199-x74.
  • Hamad S, Adornetto G, Naveja JJ, et al. HitPickV2: a web server to predict targets of chemical compounds. Bioinformatics. 2019;35:1239-40. DOI: 10.1093/bioinformatics/bty759
  • J. Gong, C. Cai, X. Liu, et al. ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method. Bioinformatics. 29, 14(2013) DOI: 10.1093/bioinformatics/btt270
  • Wang L, Ma C, Wipf Peter, et al. TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database. The AAPS journal. 15, 2(2013)
  • Yao Z, Dong J, Che Y, et al. TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models. Journal of Computer-Aided Molecular Design. 2016;30:413-24.
  • Gaulton A, Hersey A, Nowotka M, et al. The ChEMBL database in 2017. Nucleic Acids Res. 2017;45:D945-54. DOI: 10.1093/nar/gkw10
  • Pogodin P V., Lagunin A A., Filimonov D A, et al. PASS Targets: Ligand-based multi-target computational system based on a public data and naive Bayes approach. SAR And QSAR In Environmental Research. 26, 10(2015) DOI: 10.1080/1062936X.2015.1078407

How to search targets

A database contains 3270 targets which were refined and collected from the related tools and resources is available for searching. The protein name, UniProt ID, gene name or ChEMBL ID are supported.


How to download targets

The 3270 targets are now available for download as *sql file, users can import the data file into a MySQL database.

From Description Total
metaTarFisher All the target items including protein name, UniProt ID, gene name and ChEMBL ID 3,270 OK! Download

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