Input all the active compounds into SciFinder (http://scifinder.cas.org ), a database of chemical and bibliographic information attached to the Chemical Abstracts Service; get the molecular structure of each active compound. Draw them in ChemBioDraw and save as “mol2” file format. Import them into PharmMapper (http://lilab.ecust.edu.cn/pharmmapper/ , updated in September 2012), which is a web server for potential drug target identification using pharmacophore mapping approach [28 (link)]. Because of the nonstandard naming, we used UniProtKB (http://www.uniprot.org/ ), which is the central hub for the collection of functional information on proteins, with accurate, consistent, and rich annotation. Input the protein names with the species limited to “Homo sapiens” and we could receive their official symbol. After these operations, protein information of active compounds was obtained. Finally, we utilized Kyoto Encyclopedia of Genes and Genomes (KEGG) database (http://www.genome.jp/kegg/ , updated in May 2016) for noting pathway and filtering out protein targets that can be noted by human signal pathway. We used saikosaponin a and saikosaponin d instead of saikosaponin and used peoniflorin instead of TGP to obtain targets because of their high activity. The details are described in Table S2.
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