The drugs BI-D1870 (388), RG6344 (416), and Iloperidone (610) have substantial Tau binding capacity with ΔG values of −8.79 kcal/mol, −7.91 kcal/mol, and −6.88 kcal/mol, accordingly, indicating their potential for Alzheimer’s disease diagnostics. The gene discussed is MAPT; the disease is Alzheimer disease.