ChEMBL similarity and PubChem Identifier search


I am a bit confused, just checked the public code but worthwhile to check here also.
How does ChEMBL similarity and PubChem Identifier search are happening?
Is it on the client side or REST API request to chembl/pubchem services?

Thank you!

By default, the default ChEMBL similarity info panel uses the ChEMBL service for that. There is also an option to point it to your own ChEMBL instance (it has to be Postgres with the RDKit cartridge).

PubChem info panel uses pubchem service.

Both info panels are inactive by default (no requests are made until you expand the corresponding panes).

Is it possible to turn them off?

Not at the moment, but this will be included in the next release.

Hi @skalkin,
I have a question about the function.
When I select compounds in table, chembl substructure search (internal) returns suitable results.

But when I click the image of the result the URL shows different molecule.
I think the URL seems be generated with molregno not chembl_id. So it shows different compound.
To fix it, search results should be return chembl_id instead of molregno.
How can I fix the issue? Any comments or advice greatly appreciated.


Hello! Thank you for your feedback!
The issue is fixed in Chembl package version 1.0.36. The package should be available in npm tomorrow.

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Hello, ! Version 1.0.36 of Chembl package is available in npm.

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