To validate the top-ranked drug molecules with some cancer-related PTM sites of top-ranked key proteins (EGFR, AURKB, BIRC5, and TOP2A) by their docking analysis, we predicted the their PTM sites (phosphorylation, succinylation, and ubiquitination) by the web-based prediction models MusiteDeep (https://www.musite.net/) and SuccinSite (http://systbio.cau.edu.cn/SuccinSite/). Here, TOP2A is linked to cancer.