Bicarbonate

Bicarbonate

SCHEMBL11023772

CC(=O)OC(C)C.O=C(O)O

nearest known ligand 0.88

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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 4/20 0.88
HCAR2 Q8TDS4 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GALR3 O60755 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
LMNA P02545 1/20 0.35
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
TP53 P04637 1/20 0.35
CA12 O43570 2/20 0.35

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 SCHEMBL1024317 0.94 TSHR (0.88) TSHRHCAR2CHRM2CHRM4CHRM1
Acetic Acid SCHEMBL28586247 0.94 TSHR (0.88) TSHRHCAR2CHRM2CHRM4CHRM1
SCHEMBL19193 0.94
SCHEMBL21064874 0.94 TSHR (1.00) TSHRHCAR2CHRM2CHRM4CHRM1
Benzene SCHEMBL8104016 0.91 TSHR (0.82) TSHRHCAR2CHRM2CHRM4CHRM1
Ammonia Solution, Strong SCHEMBL5086843 0.90
SCHEMBL3495565 0.90
Methyl Alcohol SCHEMBL584909 0.90
SCHEMBL1278490 0.90
SCHEMBL4431010 0.90 TSHR (0.93) TSHRHCAR2CHRM2CHRM4CHRM1

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-0165794-A2 Light metal (CFx)n electrochemical cells having high current density and high power density EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-12-27 EP disclosed