Bicarbonate

Bicarbonate

SCHEMBL11215588

O=C([O-])O.O=[N+]([O-])[O-].[K+].[K+]

nearest known ligand 0.46

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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 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CA4 P22748 3/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
FAHD1 Q6P587 1/20 0.43
BLM P54132 2/20 0.38
LMNA P02545 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38
LDHA P00338 1/20 0.35
CA1 P00915 5/20 0.33
CA2 P00918 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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 SCHEMBL3799384 0.96 CA4 (0.50) MEN1KMT2ACA4CA5ACA5B
Bicarbonate SCHEMBL28276557 0.96 MEN1 (0.43) MEN1KMT2ACA4CA5ACA5B
Bicarbonate SCHEMBL27752585 0.92
Bicarbonate SCHEMBL28106037 0.92 MEN1 (0.46) MEN1KMT2ACA4CA5ACA5B
Oxalic Acid SCHEMBL29128883 0.89 CA4 (0.44) MEN1KMT2ACA4CA5ACA5B
Bicarbonate SCHEMBL9137020 0.88 MEN1 (0.43) MEN1KMT2ACA4CA5ACA5B
Bicarbonate SCHEMBL26645868 0.88 MEN1 (0.43) MEN1KMT2ACA4CA5ACA5B
Bicarbonate SCHEMBL28118759 0.88 MEN1 (0.43) MEN1KMT2ACA4CA5ACA5B
Bicarbonate SCHEMBL11215584 0.87 MEN1 (0.50) MEN1KMT2ACA4CA5ACA5B
Acetic Acid SCHEMBL27519987 0.87 CA1 (0.56) MEN1KMT2ACA4CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110078098-A A kind of impurity removal process preparing high pure nitric acid potassium 澧县腾飞化工有限公司 2019-08-02 CN disclosed
US-4329517-A COMPRISING IRON OXIDE COMPONENT MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1982-05-11 US disclosed
EP-0019476-A2 Catalyst and process for producing ortho-methyl substituted phenols using it MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1980-11-26 EP disclosed