These compounds acted directly or indirectly on relative targets (ADRB2, RXRA, AR, ESR1, RPS6KA5, MDM2, CDK2, ADRB2, PRKACA, NCOA1, NCOA2, VDR, PPARG, STAT3, PRKDC, XPO1, PIK3CG, JUN, ESR2, PARP1, GSK3B, MAPK1, VCP, HDAC3, HDAC2, HDAC1, NR3C1, PARP1, AR) and further treated hypothyroidism through the key relevant pathways such as thyroid hormone signaling pathway, glycolysis/gluconeogenesis pathways, TCA cycle pathway, fatty acid metabolism pathway and fatty acid metabolism pathway. Here, NCOA2 is linked to hypothyroidism.