Bicarbonate

Bicarbonate

SCHEMBL27670239

CCCCOS(=O)(=O)c1ccc(C)cc1.O=C(O)O

nearest known ligand 0.48

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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 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.48
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 1/20 0.46
ALB P02768 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PSMD10 O75832 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
CA2 P00918 2/20 0.43
PPARG P37231 1/20 0.43
CA7 P43166 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
ENPP1 P22413 1/20 0.41
CYP24A1 Q07973 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL187914 0.93 CA1 (0.47) STAT3ALDH1A1TSHRCYP2C9LMNA
SCHEMBL8927880 0.93 CA1 (0.47) STAT3ALDH1A1TSHRCYP2C9LMNA
SCHEMBL359236 0.92 CA1 (0.46) STAT3ALDH1A1TSHRCYP2C9LMNA
Ammonia Solution, Strong SCHEMBL7973010 0.92 CA1 (0.46) STAT3ALDH1A1TSHRCYP2C9LMNA
SCHEMBL283871 0.88 MCHR1 (0.47) ALDH1A1TSHRCYP2C9CA12CA1
SCHEMBL14476452 0.87 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C9LMNAALB
SCHEMBL2414757 0.87 ALDH1A1 (0.45) STAT3ALDH1A1TSHRCYP2C9LMNA
SCHEMBL10725263 0.87 RECQL (0.50) ALDH1A1TSHRCYP2C9CA12CA1
SCHEMBL2194649 0.87 RECQL (0.50) ALDH1A1TSHRCYP2C9CA12CA1
SCHEMBL3088278 0.87 RECQL (0.50) ALDH1A1TSHRCYP2C9CA12CA1

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
CN-100374480-C Process for producing aromatic polycarbonate MITSUBISHI CHEM CORP (JP) 2008-03-12 CN disclosed
CN-1839170-A Process for producing aromatic polycarbonate MITSUBISHI CHEM CORP (JP) 2006-09-27 CN disclosed