Bioactivity and Target Analysis

For example, say you are interested in aspirin for a particular target.  It allows you to find/navigate to similar compounds tested against that target or to find similar targets tested against aspirin.


To find a Dyad page, click on the activity in the bioassay result summary from any PubChem compound page .. for example:


It will take you to an AID/SID dyad .. for example:


If you are keen on targets, go to a Target page .. for example:


There is a tested compounds section:


Click on the activity to go to a target/CID dyad page .. for example:


There is a similar compounds section, which shows compounds similar but that are also tested against the target in any bioassay:


One can take these compounds and put them into an open source package like RDKit and do a matched molecular pair analysis (MMPA):


You can also find related targets for which the CID has bioactivity:


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