Bicarbonate

Bicarbonate

SCHEMBL5494530

CC(CO)(CO)C(=O)O.O=C(O)O

nearest known ligand 0.52

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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 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 1/20 0.42
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
MME P08473 4/20 0.33
ACE P12821 3/20 0.33
TET2 Q6N021 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GGT1 P19440 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
FFAR3 O14843 1/20 0.30
ACLY P53396 1/20 0.30

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
SCHEMBL26766 0.97
SCHEMBL181160 0.97 TSHR (0.55) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Rubidium SCHEMBL30482330 0.94 TSHR (0.52) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL337233 0.94 TSHR (0.52) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Potassium SCHEMBL29362014 0.94 TSHR (0.52) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Lithium SCHEMBL30482376 0.94 TSHR (0.52) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL10455659 0.94 TSHR (0.52) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL6557046 0.94 TSHR (0.52) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL29462916 0.94 TSHR (0.52) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL28671832 0.94 TSHR (0.52) TSHRCYP2D6CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1600484-B1 WHITE CONDUCTIVE PRIMER COATING COMPOSITION AND METHOD OF FORMING MULTILAYERED COATING FILM KANSAI PAINT CO LTD (JP) 2007-10-24 EP disclosed