It was found that the best run came with CHRM3 with the lowest affinity energy of − 5.9 kcal/mol, followed by JAK1, JAK2 and PRKCA (all of them are − 5.8 kcal/mol), and PRKCD (− 4.8 kcal/mol), which suggests that CHRM3 may serve as the most important player of the underlying mechanism against AD. The gene discussed is JAK1; the disease is Alzheimer disease.