Bicarbonate

Bicarbonate

SCHEMBL3335344

O=C(O)O.O=C(O)OCC(O)CO

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 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DGKA P23743 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FAAH O00519 2/20 0.37
OR51E2 Q9H255 1/20 0.36
USP2 O75604 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 2/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL2904699 0.97
SCHEMBL2905861 0.97
SCHEMBL44489 0.97
SCHEMBL6009745 0.95 LMNA (0.46) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL5030996 0.95 LMNA (0.46) LMNAKDM4EDUSP3MEN1KMT2A
Ammonia Solution, Strong SCHEMBL29173217 0.95 LMNA (0.46) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL27990517 0.93 LMNA (0.44) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL8033641 0.93 LMNA (0.44) LMNAKDM4EDUSP3MEN1KMT2A
Formaldehyde SCHEMBL27893956 0.93 LMNA (0.44) LMNAKDM4EDUSP3MEN1KMT2A
Acetone SCHEMBL2900783 0.91 LMNA (0.47) LMNAKDM4EDUSP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148916-B1 METHOD OF MAKING POLYGLYCEROL ESTERS CRODA INT PLC (GB) 2016-01-13 EP disclosed
US-8722814-B2 Method of making polyglycerol esters CRODA INTERNATIONAL PLC (GB) 2014-05-13 US disclosed
US-20100144978-A1 METHOD OF MAKING POLYGLYCEROL ESTERS CRODA INTERNATIONAL PLC (GB) 2010-06-10 US disclosed
EP-2148916-A1 METHOD OF MAKING POLYGLYCEROL ESTERS Croda International PLC (GB) 2010-02-03 EP disclosed
WO-2008142374-A1 METHOD OF MAKING POLYGLYCEROL ESTERS CRODA INTERNATIONAL PLC (GB) 2008-11-27 WO disclosed