Bicarbonate

Bicarbonate

SCHEMBL9506982

O=C(O)O.O=C([O-])[O-].[H+].[K+].[NaH]

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 9)

geneUniProtsupporting neighboursconfidence
CA4 P22748 4/20 0.46
FAHD1 Q6P587 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.38
LDHA P00338 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38

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 SCHEMBL1846249 0.95 CA4 (0.50) CA4FAHD1CA1CA2CA9
Bicarbonate SCHEMBL6898494 0.95
Bicarbonate SCHEMBL17475470 0.91 CA4 (0.46) CA4FAHD1CA1CA2CA9
Bicarbonate SCHEMBL10575003 0.91 CA4 (0.46) CA4FAHD1CA1CA2CA9
Bicarbonate SCHEMBL9010920 0.91 CA1 (0.56) CA4FAHD1CA1CA2CA9
Bicarbonate SCHEMBL17309684 0.91 CA1 (0.56) CA4FAHD1CA1CA2CA9
Bicarbonate SCHEMBL163255 0.91 CA1 (0.56) CA4FAHD1CA1CA2CA9
Bicarbonate SCHEMBL7762411 0.91 CA1 (0.56) CA4FAHD1CA1CA2CA9
Bicarbonate SCHEMBL1919132 0.91 CA1 (0.56) CA4FAHD1CA1CA2CA9
Bicarbonate SCHEMBL18042414 0.91 CA1 (0.56) CA4FAHD1CA1CA2CA9

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
EP-0356176-B1 ACETAMIDE COMPOUNDS HAMARI YAKUHIN KOGYO KABUSHIKI KAISHA also known as HAMARI CHEMICALS, LTD. (JP) 1993-09-22 EP disclosed