Therefore, PISA analysis could be a valuable tool to discover the protein targets of a small molecule with specific bioactivity, which will give mechanistic insights to explain the bioactivity of ALA in anticancer and provide opportunities of developing novel sesquiterpene lactone-based AKR1C1 inhibitors for pharmacological treatment of NSCLC. Here, AKR1C1 is linked to non-small cell lung carcinoma.