OBJECTIVE： To predict potential isorhamnetin targets via reverse molecular docking. METHOD： idTarget was used to screen potential targets in the database of isorhamnetin and proteins. The autodock vina in PyRx 0.8 was utilized to verify the results after screening via molecular docking. RESULTS： Isorhamnetin was well combined with 4 kinds of target proteins including thioredoxin reductase 1， thrombin， dihydrofolate reductase and nuclear receptor ROR-α， respectively with ΔGpred of －11.7， －10.34， －10.11 and －10.07 kcal/mol. The results of the verification via molecular docking demonstrated electrostatic interaction， hydrogen bonding interaction and van der Waals force between isorhamnetin and the core amino acids of the 4 kinds of target proteins. CONCLUSIONS： Thioredoxin reductase 1， thrombin， dihydrofolate reductase and nuclear receptor ROR-α may be potential isorhamnetin targets.