How do I use the Selectivity Profile form in Query builder?

In this example, let’s look at how to find selective molecules on Prostaglandin G/H synthase 2 (COX-2) versus Prostaglandin G/H synthase 1 (COX‑1)?

1. Click Query builder
2. In the Find search fields and forms field, type selectivity – the list is filtered to include fields and forms that include the word selectivity.

   • Drag and drop the Selectivity Profile form onto the Query builder

   You will see the following form with the combine operator.  The combine operator will allow users to search for substances tested on two targets whatever the origin of the targets (same or different bioassays, same or different publication).

   

    

3. Define the first Target name to be cox2 (prostaglandin g/h synthase 2)

   • Click the first Target Name field and type cox2
   • Click cox2 (prostaglandin g/h synthase 2) from the suggestion list

   

4. Set the first Measurement pX to >= 8 (e.g. user searched for substances highly potent on COX-2 with a potency below 10 nM using IC50, Ki, EC50 etc.).
5. Set the second Target Name by clicking the Lookup tool
6. Type cox1 ( do NOT press the Enter key)
7. Click cox1(prostaglandin g/h synthase 1) from the suggestion list and press the Enter key

   Note:  The search in the Taxonomy is performed using a substring within the full name and the associated synonyms of the target. The searched term is highlighted in orange when found into synonyms and corresponding main terms are displayed as a flat list at the bottom of the page.

   In the Selected search items section the term(s) can be deleted by clicking the blue ’X’. Numbers on the right hand side of the windows are counting bioactivities (data points) on the corresponding target or family of target.

   
8. Click Transfer
9. Set the second Measurement pX to <=6 (e.g. user searched for substances less potent on COX-1 with a potency over 1µM using IC50, Ki, EC50 etc.).
10. Click Search on the top of the screen and click the desired content (Reactions, Targets, Substances or Documents), in this example Substances.

    The Results Page is displayed.  Target and Bioactivity will retrieve substances tested on the above-mentioned targets with a 100 selectivity fold COX-2 versus COX-1.

11. Click Heatmap
12. Review Settings and click Apply.

The heatmap view will give you a visual display of selective substances.