Evidence Boosting in Rational Drug Design and Indication Expansion by Leveraging Disease Association

摘要

An embodiment of the invention receives input including a list of drugs, drug characteristics of each drug, and known drug-disease associations including a disease and a drug having a threshold efficacy for treating the disease. For each drug in the list of drugs, a processor predicts whether the drug meets a threshold efficacy for treating a first disease based on the drug characteristics and the drug-disease associations. For each drug in the list of drugs, the processor predicts whether the drug meets a threshold efficacy for treating a second disease based on the drug characteristics and the predicting of whether the drug meets the threshold efficacy for treating the first disease. Output is generated output based on the predictions, the output including an identified drug-disease association, an identified disease-disease association, an identified chemical fingerprint for the first disease, and an identified chemical fingerprint for the second disease.

主权项

1. A method comprising:
receiving input in an interface, the input including a list of drugs, drug characteristics of each drug in the list of drugs, and drug-disease associations, each of the drug-disease associations including a disease and a drug having a threshold efficacy for treating the disease; predicting whether each drug in the list of drugs meets a threshold efficacy for treating a first disease with a processor based on the drug characteristics and the drug-disease associations; predicting whether each drug in the list of drugs meets a threshold efficacy for treating a second disease with the processor based on the drug characteristics and said predicting whether each drug in the list of drugs meets the threshold efficacy for treating the first disease; and generating output based on said predicting whether the drug meets the threshold efficacy for treating the first disease and said predicting whether the drug meets the threshold efficacy for treating the second disease, the output including an identified drug-disease association, an identified disease-disease association, an identified chemical fingerprint for the first disease, and an identified chemical fingerprint for the second disease,
the identified drug-disease association including at least one drug having a threshold predicted efficacy for treating at least one of the first disease and the second disease;the identified disease-disease association including at least one disease having a threshold level of similarity to at least one of the first disease and the second disease,the identified chemical fingerprint for the first disease including a numerical code identifying a known chemical structure having a predicted efficacy for treating the first disease, andthe identified chemical fingerprint for the second disease including a numerical code identifying a known chemical structure having a predicted efficacy for treating the second disease.