Bicarbonate

Bicarbonate

SCHEMBL11274985

O=C(O)O.O=N[O-].O=N[O-].O=N[O-].[Co+3]

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 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46

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
Bicarbonate SCHEMBL11438218 0.91
Bicarbonate SCHEMBL11274973 0.82
Nitrous Acid SCHEMBL17180228 0.80
Nitrous Acid SCHEMBL11586179 0.80 ALDH1A1 (0.75) ALDH1A1ALOX15TDP1CA1CA2
Nitrous Acid SCHEMBL311408 0.80
Bicarbonate SCHEMBL28225161 0.78
Bicarbonate SCHEMBL28325840 0.78
Nitrous Acid SCHEMBL25419792 0.75 ALDH1A1 (0.67) ALDH1A1ALOX15TDP1
Nitrous Acid SCHEMBL1657920 0.75 ALDH1A1 (0.67) ALDH1A1ALOX15TDP1
Nitrous Acid SCHEMBL2377993 0.75 ALDH1A1 (0.88) ALDH1A1ALOX15TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed