Based on metabolite-likeness and other criteria, such as the cellular localizations and physiological functions of target enzymes, relationships with NF-κB pathway and lung cancer, drug-likeness, and functional novelty, three TOM-derived mimetics of human metabolites were identified, namely, danshensu, synephrine, and vanillin (Fig. 1a). The gene discussed is NFKB1; the disease is lung cancer.