782,524 nodes (ChEMBL compounds) with 14,680,477 edges are used to generate the following networks. Two nodes which share an edge are a matched molecular pair. In order to see individual nodes better, not all edges are drawn. All nodes are colored according to their intended target classes. Eight different target classes (CYP450, GPCR, Ion Channel, Kinase, Nuclear, PDE, Phosphatase, and Protease) are considered. Multiple means compounds are belong to two or more target classes listed here. Click each image to explore.
chembl_cpd2cpd
All 782,524 nodes are shown. There are 14,680,477 edges.
chembl_cpd2cpd_center
The center network found in chembl_cpd2cpd. There are 341,052 nodes and 12,050,339 edges.
chembl_gpcr
Generated using GPCR compounds only. There are 253,024 nodes and 5,041,391 edges.
chembl_kinase
Generated using kinase compounds only. There are 61,405 nodes and 567,488 edges.
chembl_ring2target
Generated using fragments containing rings. An edge is formed when a compound contains the fragment.There are 260,711 nodes and 2,605,526 edges.