Bicarbonate

Bicarbonate

SCHEMBL6562024

C=CCCCCCCCCCC.O=C(O)O

nearest known ligand 0.76

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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
TSHR P16473 2/20 0.76
ALDH1A1 P00352 1/20 0.59
MAPT P10636 3/20 0.58
ABCC4 O15439 1/20 0.58
EP300 Q09472 1/20 0.54
TERT O14746 3/20 0.52
PTPN1 P18031 3/20 0.52
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
BLM P54132 2/20 0.52
HSD17B10 Q99714 2/20 0.52
FABP4 P15090 2/20 0.52
TOP1 P11387 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52

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 SCHEMBL28327597 1.00 TSHR (0.76) TSHRALDH1A1MAPTABCC4EP300
Bicarbonate SCHEMBL701382 1.00 TSHR (0.76) TSHRALDH1A1MAPTABCC4EP300
Bicarbonate SCHEMBL29092873 1.00 TSHR (0.76) TSHRALDH1A1MAPTABCC4EP300
Bicarbonate SCHEMBL8572179 1.00 TSHR (0.76) TSHRALDH1A1MAPTABCC4EP300
Bicarbonate SCHEMBL28297401 0.98 TSHR (0.73) TSHRALDH1A1MAPTABCC4EP300
Bicarbonate SCHEMBL16027137 0.98 TSHR (0.71) TSHRALDH1A1MAPTABCC4EP300
Acetic Acid SCHEMBL20420819 0.93 TSHR (0.73) TSHRALDH1A1MAPTABCC4EP300
Acetic Acid SCHEMBL2553321 0.93 TSHR (0.73) TSHRALDH1A1MAPTABCC4EP300
Acetic Acid SCHEMBL6701013 0.93 TSHR (0.73) TSHRALDH1A1MAPTABCC4EP300
Acetic Acid SCHEMBL30632143 0.93 TSHR (0.73) TSHRALDH1A1MAPTABCC4EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397479-A1 CLEANING SYSTEM INCLUDING A LIQUID CLEANING COMPOSITION DISPOSED IN A WATER SOLUBLE CONTAINER Colgate-Palmolive Company (US) 2004-03-17 EP disclosed
WO-2002102958-A1 CLEANING SYSTEM INCLUDING A LIQUID CLEANING COMPOSITION DISPOSED IN A WATER SOLUBLE CONTAINER COLGATE-PALMOLIVE COMPANY (US) 2002-12-27 WO disclosed
US-6486109-B1 Cleaning system including a liquid cleaning composition disposed in a water soluble container COLGATE-PALMOLIVE COMPANY 2002-11-26 US disclosed
US-6444632-B1 POLYVINYL ALCOHOL CONTAINER OF LIQUID CLEANING COMPOSITION COMPRISING NONIONIC SURFACTANT; FATTY ACID, WATER INSOLUBLE ORGANIC ESTER AND/OR SILICONE FLUID; PERFUME, ESSENTIAL OIL OR WATER INSOLUBLE ORGANIC COMPOUND; SHORT CHAIN AMPHIPHILE COLGATE-PALMOLIVE COMPANY 2002-09-03 US disclosed
US-5733860-A ANIONIC SURFACTANTS, ALKYLENE CARBONATE, ELECTROLYTES AND WATER COLGATE-PALMOLIVE COMPANY (US) 1998-03-31 US disclosed
WO-1998000418-A1 ALKYLENE CARBONATES AND THEIR PREPARATION COLGATE-PALMOLIVE COMPANY (US) 1998-01-08 WO disclosed