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Fig. 9 | Journal of Cheminformatics

Fig. 9

From: GraphDTI: A robust deep learning predictor of drug-target interactions from multiple heterogeneous data

Fig. 9

Examples of drug targets and their local network environment. A Fasudil interacting with cAMP-dependent protein kinase catalytic subunit α (PRKACA) further connected to AKAP1, PRKR2A, PRKR2B, PRKR1A, and PRKR1B. B Haloperidol interacting with 5-hydroxytryptamine receptor 2 C (HTR2C), dopamine D2 receptor (DRD2), and histamine H1 receptor (HRH1) along with a local network of connected proteins (NPSR1, PENK, ADRA2A, GNAQ, GRPR, TAC1, BDKRB2, KNG1, GRM5, HCRT, ADRB2, NTS, CCK, NCS1, and CDH1). C Vorinostat interacting with histone deacetylase 2 (HDAC2) and leukotriene A4 hydrolase (LTA4H) along with a local network of connected proteins (SIN3A, EZH2, LTC4S, PGM1, MBD2, ALOX5, RBBP7, RBBP4, ALDOA, and 1DH1). D Clofibrate interacting with transcription factor AP-1 (JUN) and cyclin-dependent kinase 1 (CDK1) along with a local network of connected proteins (CKS2, UBE2C, MAPK8, MAPK9, ANAPC4, CCNB2, AURKA, FOS, MAPK10, and ATF3). Drugs are colored in salmon, whereas targets are purple and off-targets are cyan. Nodes in local networks are colored according to their differential gene expression between drug-treated and untreated cells (green—upregulated, red—downregulated) and ordered clockwise starting with the most upregulated protein, labeled 1

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