End-to-end sequence-structure-function meta-learning predicts genome-wide chemical-protein interactions for dark proteins
Fig 5
Drug-target interaction network for proteins associated with Alzheimer’s disease and docking poses for representative drug-target pairs calculated by Autodock Vina.
(a) Drug-target interaction network predicted by PortalCG. Yellow rectangles and green ovals represent drugs and targets, respectively. (b) Docking pose and ligand binding interactions between protein TIR domain-containing adapter molecule 2 (Uniprot: Q86XR7) and AI-10–49. (c) Docking pose and ligand binding interactions between protein Unconventional myosin-Vc (Uniprot: Q9NQX4) and fenebrutinib. (d) Docking pose and ligand binding interactions between DNA replication ATP-dependent helicase/nuclease (Uniprot: P51530) and PF-05190457.