Bicarbonate

Bicarbonate

SCHEMBL7922938

CC1CCCCC1(C)C.O=C(O)O

nearest known ligand 0.42

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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
UGT2B7 P16662 4/20 0.36
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
STAT6 P42226 1/20 0.35
HIF1A Q16665 1/20 0.35
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
FFAR3 O14843 1/20 0.33

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
Acetic Acid SCHEMBL28998866 0.93 UGT2B7 (0.35) UGT2B7LMNAGAACYP1A2FFAR3
Hydrogen Peroxide SCHEMBL27561732 0.93 GAA (0.38) UGT2B7GAA
Acetic Acid SCHEMBL29152895 0.91 UGT2B7 (0.34) UGT2B7LMNAGAACYP1A2FFAR3
Methyl Alcohol SCHEMBL8166102 0.88 GAA (0.38) GAA
SCHEMBL11280434 0.88
SCHEMBL201821 0.88
Carbamic Acid SCHEMBL28182171 0.88 EPHX1 (0.35) UGT2B7SMN1; SMN2GAACYP1A2
Acrylic Acid SCHEMBL17974546 0.86 LMNA (0.37) UGT2B7LMNA
Methacrylic Acid SCHEMBL28063307 0.86 SMN1; SMN2 (0.33) UGT2B7SMN1; SMN2GAAPOLB
Acrylic Acid SCHEMBL1615618 0.86 LMNA (0.37) UGT2B7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884309-A Increase-volume composition, the product formed by it and manufacturing method 沙特基础工业全球技术有限公司 2018-11-23 CN claimed
CN-109415534-A The polycarbonate compositions of optical property with enhancing, the product formed by it and manufacturing method 沙特基础工业全球技术有限公司 2019-03-01 CN disclosed
EP-0835860-B1 Process for the preparation of esters or alcoholates by water separation BAYER AG (DE) 2001-06-13 EP disclosed
EP-0835860-A1 Separation of water from reactive mixtures BAYER AG (DE) 1998-04-15 EP disclosed