We have endeavoured to make this work Findable, Accessible, Interoperable and Reusable, according to Open Science principles. As for P&D itself, the licence is CC BY-SA 4.0. We have submitted a supplementary data sheet that includes compound names, SMILES, InChIKeys, target identifiers, source assignments as well as other data used for the study. For interoperability, this will be deposited into Figshare in .xlsx format. No proprietary software has been used in this work and we thus expect any analysis reported here to be reproducible (if users encounter difficulties, they are welcome to contact us). As mentioned, all the intersections between sources inside the P&D database can simply be read off, combined, downloaded and users' own sets uploaded for further intersection analysis. Also as described, we recommend the PubChem Identifier Exchange Service for casting SMILES or InChIKeys at a medium scale against PubChem in total or selected sources within it. Many of the data sources used in this work (and consequently P&D) will expand with new releases so we expect numbers to change within a few months of these compilations made in April 2021.