| アブストラクト | MOTIVATION: Unexpected drug activities derived from off-targets are usually undesired and harmful; however, they can occasionally be beneficial for different therapeutic indications. There are many uncharacterized drugs whose target proteins (including the primary target and off-targets) remain unknown. The identification of all potential drug targets has become an important issue in drug repositioning to reuse known drugs for new therapeutic indications. RESULTS: We defined pharmacological similarity for all possible drugs using the US Food and Drug Administration's (FDA's) adverse event reporting system (AERS) and developed a new method to predict unknown drug-target interactions on a large scale from the integration of pharmacological similarity of drugs and genomic sequence similarity of target proteins in the framework of a pharmacogenomic approach. The proposed method was applicable to a large number of drugs and it was useful especially for predicting unknown drug-target interactions that could not be expected from drug chemical structures. We made a comprehensive prediction for potential off-targets of 1874 drugs with known targets and potential target profiles of 2519 drugs without known targets, which suggests many potential drug-target interactions that were not predicted by previous chemogenomic or pharmacogenomic approaches. AVAILABILITY: Softwares are available upon request. CONTACT: yamanishi@bioreg.kyushu-u.ac.jp SUPPLEMENTARY INFORMATION: Datasets and all results are available at http://cbio.ensmp.fr/~yyamanishi/aers/. |
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| ジャーナル名 | Bioinformatics (Oxford, England) |
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| 投稿日 | 2012/9/11 |
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| 投稿者 | Takarabe, Masataka; Kotera, Masaaki; Nishimura, Yosuke; Goto, Susumu; Yamanishi, Yoshihiro |
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| 組織名 | Bioinformatics Center, Institute for Chemical Research, Kyoto University,;Gokasho, Uji, Kyoto 611-0011, Japan. |
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| Pubmed リンク | https://www.ncbi.nlm.nih.gov/pubmed/22962489/ |
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