Bicarbonate

Bicarbonate

SCHEMBL8962406

C=CC(S)c1ccccc1.O=C(O)O

nearest known ligand 0.50

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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
CYP2C19 P33261 2/20 0.46
SRC P12931 2/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
AKT1 P31749 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL776297 0.91 TSHR (0.38) CYP2C19LMNATDP1HPGDKDM4E
Hydrochloric Acid SCHEMBL11163950 0.89 CYP2C19 (0.36) CYP2C19LMNATDP1HPGDKDM4E
SCHEMBL6135444 0.81 MAPT (0.40) CYP2C19SRCCYP2D6LMNATDP1
SCHEMBL6971134 0.74 CYP1A2 (0.46) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL6740830 0.72 CYP2D6 (0.44) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL622284 0.71 CYP1A2 (0.57) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL21119246 0.71 CYP1A2 (0.57) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL12833352 0.71 CYP1A2 (0.57) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL1335927 0.71 CYP1A2 (0.47) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL8414774 0.70 CYP2D6 (0.42) SRCCYP2D6LMNAMAPK1CES2

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-0695437-A1 PHOTOCURABLE COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1996-02-07 EP disclosed
US-5464538-A Reverse osmosis membrane THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed
WO-1994024609-A2 PHOTOCURABLE COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1994-10-27 WO disclosed
US-5310581-A Photoresists, reacting photolabile onium with a photoreactive nucleophile, modified vinylbenzyl chloride polymer THE DOW CHEMICAL COMPANY (US) 1994-05-10 US disclosed
US-5238747-A Compounds with onium groups cured with compound having nucleophilic groups; photoresists release agents THE DOW CHEMICAL COMPANY (US) 1993-08-24 US disclosed