Drug Target Prediction by Multi-View Low Rank Embedding.

Abstract

Drug repositioning has been a key problem in drug development, and heterogeneous data sources are used to predict drug-target interactions by different approaches. However, most of studies focus on a single representation of drugs or proteins. It has been shown that integrating multi-view representations of drugs and proteins can strengthen the prediction ability. For example, a drug can be represented by its chemical structure, or by its chemical response in different cells. A protein can be represented by its sequence, or by its gene expression values in different cells. The docking of drugs and proteins based on their structure can be considered as one view (structural view), and the chemical performance of them based on gene expression and drug response can be considered as another view (chemical view). In this work, we first propose a single-view approach of SLRE based on low rank embedding for an arbitrary view, and then extend it to a multi-view approach of MLRE, which could integrate both views. Our experiments show that our methods perform significantly better than baseline methods including single-view methods and multi-view methods. We finally report predicted drug-target interactions for 30 FDA-approved drugs.