Bicarbonate

Bicarbonate

SCHEMBL5874331

Cc1ccccc1C(C)(C)N.O=C(O)O

nearest known ligand 0.43

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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
KMT2A Q03164 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 3/20 0.41
MYC P01106 1/20 0.40
CASR P41180 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36

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
Oxalic Acid SCHEMBL5179301 0.94 ALDH1A1 (0.44) KMT2AGABRA1GABRB2MAPTHPGD
Oxalic Acid SCHEMBL153610 0.94 ALDH1A1 (0.44) KMT2AGABRA1GABRB2MAPTHPGD
Acetic Acid SCHEMBL1047016 0.94 HPGD (0.40) KMT2AGABRA1GABRB2MAPTHPGD
Methyl Alcohol SCHEMBL6949733 0.89 GABRA1 (0.45) KMT2AGABRA1GABRB2CASRGAA
SCHEMBL164361 0.89 TSHR (0.45) GABRA1GABRB2CASRALDH1A1ATM
SCHEMBL29581427 0.89 TSHR (0.45) GABRA1GABRB2CASRALDH1A1ATM
Trichloroacetic Acid SCHEMBL5874544 0.89 KMT2A (0.39) KMT2AGABRA1GABRB2MAPTHPGD
Trifluoroacetic Acid SCHEMBL5874682 0.89 KDM4E (0.41) KMT2AGABRA1GABRB2MAPTHPGD
SCHEMBL10640465 0.89 KCNN4 (0.39) KMT2AGABRA1GABRB2MAPTHPGD
Malonic Acid SCHEMBL5874902 0.89 GAA (0.41) KMT2AGABRA1GABRB2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed