Figure 3.

Collective and cross-assay bioactivity data for a specific gene target in the PubChem BioAssay database (https://pubchem.ncbi.nlm.nih.gov/assay/bioactivity.html?geneid=1956). The filters at the top of the web page may be used to drill down to a subset of interest. For example, using the filters provided under the ‘Substance Types’ section, one may retrieve the RNAi data by clicking on ‘RNAi (34)’. The ‘Primary drug (385)’ filter in the section allows the retrieval of the bioactivity data for drugs that were developed to specifically target the query protein/gene, while the ‘Drug (1646)’ filter retrieves bioactivity for any drugs in general which were tested in the assays. This latter filter allows one to identify drug molecules that show experimental evidence (based on PubChem BioAssay data) for binding or affecting the query protein/gene target so that their potential for drug repositioning (against the query protein/gene target) may be further explored. Drug and target information supporting these two filters were obtained from annotations in the DrugBank.