Large Scale Prediction and Testing of Drug Activity on Side-Effect Targets

  title={Large Scale Prediction and Testing of Drug Activity on Side-Effect Targets},
  author={Eugen Lounkine and Michael J. Keiser and Steven Whitebread and Dmitri Mikhailov and Jacques Hamon and Jeremy L. Jenkins and Paul Lavan and Eckhard Weber and Allison K. Doak and Serge C{\^o}t{\'e} and Brian K. Shoichet and Laszlo Urban},
Discovering the unintended ‘off-targets’ that predict adverse drug reactions is daunting by empirical methods alone. Drugs can act on several protein targets, some of which can be unrelated by conventional molecular metrics, and hundreds of proteins have been implicated in side effects. Here we use a computational strategy to predict the activity of 656 marketed drugs on 73 unintended ‘side-effect’ targets. Approximately half of the predictions were confirmed, either from proprietary databases… CONTINUE READING
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