The best 50 interactions (most negative AE values) are presented below. The dynamic plots are organised by gene, target, drug name or compound.
No of genes = 4; No of PDBs = 22; No of drug names = 10; No of compounds = 10. More PDBs correspond to a gene; more compounds correspond to a drug name.

Top 50 innteractions between PubChem drugs and genes/proteins involved in COAD:

AE HGNC_symbol DrugName ProteinID DrugCID Drug
-13.7 GLTP nilotinib 3s0i 644241 nilotinib-644241
-13.4 GLTP venetoclax 4gjq 49846579 venetoclax-49846579
-13.2 GLTP sonidegib 2evs 24775005 sonidegib-24775005
-13.2 GLTP nilotinib 2evt 644241 nilotinib-644241
-13.2 GLTP nilotinib 3s0k 644241 nilotinib-644241
-13.2 GLTP sonidegib 3s0k 24775005 sonidegib-24775005
-13.0 GLTP sonidegib 1swx 24775005 sonidegib-24775005
-13.0 GLTP venetoclax 4ghs 49846579 venetoclax-49846579
-12.9 GLTP regorafenib 3s0k 11167602 regorafenib-11167602
-12.8 GLTP nilotinib 2evl 644241 nilotinib-644241
-12.8 GLTP sonidegib 3s0i 24775005 sonidegib-24775005
-12.8 GLTP nilotinib 4gh0 644241 nilotinib-644241
-12.7 GLTP nilotinib 1sx6 644241 nilotinib-644241
-12.7 GLTP sonidegib 3ric 24775005 sonidegib-24775005
-12.7 GLTP nilotinib 3rzn 644241 nilotinib-644241
-12.7 GLTP venetoclax 3s0k 49846579 venetoclax-49846579
-12.7 GLTP sonidegib 4gh0 24775005 sonidegib-24775005
-12.7 GLTP venetoclax 4gh0 49846579 venetoclax-49846579
-12.7 GLTP nilotinib 4gxg 644241 nilotinib-644241
-12.6 GLTP sonidegib 3rzn 24775005 sonidegib-24775005
-12.6 GLTP nilotinib 4gxd 644241 nilotinib-644241
-12.6 GLTP venetoclax 4gxg 49846579 venetoclax-49846579
-12.6 GLTP sonidegib 4h2z 24775005 sonidegib-24775005
-12.5 GLTP venetoclax 1sx6 49846579 venetoclax-49846579
-12.5 GLTP nilotinib 2euk 644241 nilotinib-644241
-12.5 GLTP abemaciclib 3s0k 46220502 abemaciclib-46220502
-12.5 GLTP nilotinib 4ghp 644241 nilotinib-644241
-12.4 GLTP sonidegib 1sx6 24775005 sonidegib-24775005
-12.4 GLTP sonidegib 2euk 24775005 sonidegib-24775005
-12.4 GLTP nilotinib 2evd 644241 nilotinib-644241
-12.4 GLTP olaparib 2evt 23725625 olaparib-23725625
-12.4 GLTP vemurafenib 3s0k 42611257 vemurafenib-42611257
-12.4 GLTP dactinomycin 4gh0 457193 dactinomycin-457193
-12.4 GLTP nilotinib 4ghs 644241 nilotinib-644241
-12.3 GLTP nilotinib 2eum 644241 nilotinib-644241
-12.3 PTPRN venetoclax 3np5 49846579 venetoclax-49846579
-12.3 GLTP nilotinib 3ric 644241 nilotinib-644241
-12.3 GLTP ibrutinib 3s0k 24821094 ibrutinib-24821094
-12.3 GLTP nilotinib 4gjq 644241 nilotinib-644241
-12.3 GLTP venetoclax 4gxd 49846579 venetoclax-49846579
-12.2 GLTP sonidegib 2evd 24775005 sonidegib-24775005
-12.2 GLTP sonidegib 2evl 24775005 sonidegib-24775005
-12.2 GLTP sonidegib 2evt 24775005 sonidegib-24775005
-12.2 PTPRN nilotinib 3np5 644241 nilotinib-644241
-12.2 GLTP alectinib 4ghs 49806720 alectinib-49806720
-12.2 GLTP alectinib 4gjq 49806720 alectinib-49806720
-12.2 VEGFA venetoclax 4gls 49846579 venetoclax-49846579
-12.1 FABP6 abemaciclib 2mm3 46220502 abemaciclib-46220502
-12.1 FABP6 venetoclax 2mm3 49846579 venetoclax-49846579
-12.1 GLTP dactinomycin 3s0i 457193 dactinomycin-457193


Acknowledgements: This work was supported by "Collaborative Project in Genomic Data Integration (CICLOGEN)" PI17/01826 funded by the Carlos III Health Institute from the Spanish National plan for Scientific and Technical Research and Innovation 2013–2016 and the European Regional Development Funds (FEDER), the “Galician Network for Colorectal Cancer Research” (Ref. ED431D 2017/23), and finally by the Spanish Ministry of Economy and Competitiveness through the project BIA2017-86738-R and through the funding of the unique installation BIOCAI (UNLC08-1E-002, UNLC13-13-3503) and the European Regional Development Funds (FEDER) by the European Union. Additional support was offered by the Accreditation, Structuring, and Improvement of Consolidated Research Units and Singular Centers (ED431G/01), funded by the Ministry of Education, University and Vocational Training of Xunta de Galicia endowed with EU FEDER funds.