We proposed a systematic method for mining the relating
connections of molecular target to drug activity among cancer, 
genetic perturbation, and drug action. With the advances in the 
development of the structure-activity relational according to 
integrative hepatocellular carcinoma candidate genes database
(OncoDB.HCC) and a reference drug-like of core structures from 
chemo-sensitivities signature in NCI database including NCI60 cell 
lines. This model biological activity of the small molecules sharing 
a common pathway of action, chemical, physiological processes, 
cancers and drugs, so these computational approach by integrative 
heterogeneous pharmacology and toxicity relevance, offer a potential
application to traditional drug development procedures of target 
identification, validation, lead identification, and new 
pharmacological usage of an old drug. Give an example for 
demonstration the core structural information for candidate 
anticancer gene, Aurora-1 kinase, is validated on intact gene 
function and perturbation their activity. It remains to be seen new 
efforts to guide and prioritize by using this information- intensive 
strategy will be generated new potential clinically active agents 
for pharmaceutical researchers.