Bicarbonate

Bicarbonate

SCHEMBL11048608

O=C(O)O.O=C(O)O.O=C(O)OOC(=O)O

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ACHE P22303 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30514 0.95
Hydrogen Peroxide SCHEMBL9436488 0.95 CA1 (0.40) CA1CA2CA9ACHEFFAR3
SCHEMBL30960095 0.95 CA1 (0.40) CA1CA2CA9ACHEFFAR3
SCHEMBL7749080 0.90
SCHEMBL1155717 0.90 CA1 (0.36) CA1CA2CA9ACHEFFAR3
SCHEMBL1690429 0.90 CA1 (0.36) CA1CA2CA9ACHEFFAR3
Ammonia Solution, Strong SCHEMBL1160872 0.90 CA1 (0.36) CA1CA2CA9ACHEFFAR3
SCHEMBL4876131 0.90
SCHEMBL4235388 0.90 CA1 (0.36) CA1CA2CA9ACHEFFAR3
SCHEMBL29082708 0.90 CA1 (0.36) CA1CA2CA9ACHEFFAR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4429092-A COPPER AND TIN PROMOTER, CHAIN TRANSFER MERCAPTAN U.S. PEROXYGEN COMPANY (US) 1984-01-31 US disclosed