Mechanism of action derivation for drug candidate adverse drug reaction predictions

A computer program product generating a mechanism of action hypothesis for an adverse drug reaction, the computer program product comprising:

• a computer readable storage medium readable by a processing circuit and storing program instructions for execution by the processing circuit for performing a method comprising:
• receiving drug candidate data along with and a plurality of predicted adverse drug reactions associated with the drug candidate data;
• receiving a drug pathway data for the drug candidate;
• receiving adverse drug reaction pathway data for each of the plurality of predicted adverse drug reactions;
• building a pathway network, wherein the pathway network comprises a plurality of drug pathway nodes, a plurality of adverse drug reaction pathway nodes, and a plurality of pathway connections;
• and
• generating a pathway output.

A processing system for generating a mechanism of action hypothesis for an adverse drug reaction, comprising:

• a processor in communication with one or more types of memory, the processor configured to:
• receive drug candidate data that identifies a drug candidate along with and a plurality of predicted adverse drug reactions associated with the drug candidate data;
• receive a drug pathway data for the drug candidate;
• receive adverse drug reaction pathway data for each of the plurality of predicted adverse drug reactions;
• build a pathway network, wherein the pathway network comprises a plurality of drug pathway nodes, a plurality of adverse drug reaction pathway nodes, and a plurality of pathway connections;
• and
• generate a pathway output.

A system for generating a mechanism of action hypothesis comprising:

• an input comprising a drug structure input, a drug pathway input, and an adverse drug reaction (ADR) input;
• a pathway analysis engine comprising an ADR prediction module, a pathway harvest module, a pathway network formation module, and a network connection ranking module;
• and
• a system output interface.