Bicarbonate

Bicarbonate

SCHEMBL8910358

CCc1cccc(O)c1O.O=C(O)O

nearest known ligand 0.67

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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
GABRA1 P14867 1/20 0.67
GABRB2 P47870 1/20 0.67
IAPP P10997 5/20 0.59
AKR1B1 P15121 1/20 0.48
BID P55957 3/20 0.46
MCL1 Q07820 3/20 0.46
BCL2L1 Q07817 2/20 0.46
BAK1 Q16611 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
ADAMTS4 O75173 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 1/20 0.46
CA1 P00915 1/20 0.46

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 SCHEMBL29141185 0.94 GABRA1 (0.64) GABRA1GABRB2IAPPAKR1B1BID
SCHEMBL30023472 0.93 GABRA1 (0.76) GABRA1GABRB2IAPPADAMTS4ALDH1A1
SCHEMBL70065 0.93 GABRA1 (0.76) GABRA1GABRB2IAPPADAMTS4ALDH1A1
Bromide SCHEMBL11072545 0.91 GABRA1 (0.73) GABRA1GABRB2IAPPADAMTS4ALDH1A1
Glycolic Acid SCHEMBL28495550 0.90 GABRA1 (0.59) GABRA1GABRB2IAPPAKR1B1BID
Formaldehyde SCHEMBL27752499 0.89 GABRA1 (0.70) GABRA1GABRB2IAPPADAMTS4ALDH1A1
SCHEMBL5967671 0.87 GABRA1 (0.67) GABRA1GABRB2IAPPADAMTS4ALDH1A1
Bicarbonate SCHEMBL8909804 0.86 IAPP (0.67) IAPPBIDMCL1BCL2L1BAK1
Phosphoric Acid SCHEMBL466514 0.85 GABRA1 (0.64) GABRA1GABRB2IAPPADAMTS4ALDH1A1
SCHEMBL199730 0.81 GABRA1 (1.00) GABRA1GABRB2IAPPCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681669-A ORGANIC SOLVENT CONTAINING AN AROMATIC CARBONATE AND DISSOLVED LITHIUM SALT UBE INDUSTRIES, LTD. (JP) 1997-10-28 US disclosed
US-4255490-A COPOLYMERS ACETALIZED WITH A MONO- OR DIALDEHYDE; FOOD PACKAGING FILMS, HEAT AND SOLVENT RESISTANCE; OXYGEN BARRIER TOYO SEIKAN KAISHA LIMITED (JP) 1981-03-10 US disclosed
US-4212956-A PACKAGING FILM TOYO SEIKAN KAISHA LIMITED (JP) 1980-07-15 US disclosed