disease.jpgdisease specific chemicals discovery and ranking (i.e., Alzheimer)
first step: from disease to targets. there are several paths.
1) disease---omim---genes (12 genes)
2) disease---pharmGKB--targets (84 genes)
3) disease-- - OMIM--genes--PPI---first target neighbors (200 genes)
4) disease---KEGG (disease pathway)--- targets (145 genes)
5) disease---text mining (disease target associations)---targets (74 genes)
in total: 430 genes.
go to HGNC to select human genes: 382, How to rank targets?
Second step: from targets to chemicals:
1)targets---BindingDB---chemicals (5089 target & chemical)
2)targets---ChEMBL---chemicals (188129 target & chemical)
3)targets---DrugBank---drugs (819 target & chemical)
4) targets---TTD---drugs (504 target & chemical)
5) targets---PubChem BioAssay--chemicals (60090 target & chemical)
6) targets---PharmaGKB---drugs (1914 target & chemical)
in total chemicals found 81077
How to rank chemicals?