Bicarbonate

Bicarbonate

SCHEMBL10697021

CN(C)CC(O)O.O=C(O)O

nearest known ligand 0.36

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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
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TP53 P04637 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
ALDH1A1 P00352 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
Oxalic Acid SCHEMBL1050275 0.92 HTT (0.35) HTTRAB9AATMNPC1MAPT
Oxalic Acid SCHEMBL1050273 0.92 HTT (0.35) HTTRAB9AATMNPC1MAPT
SCHEMBL3281574 0.87
Water SCHEMBL2817953 0.84
SCHEMBL10382654 0.84
Hydrochloric Acid SCHEMBL5157342 0.84
Fluoride SCHEMBL4617078 0.84
Nitric Acid SCHEMBL8192717 0.76 CA5A (0.40)
SCHEMBL7397729 0.74
SCHEMBL5620145 0.74

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-0269949-A2 Process for producing a high purity quaternary ammonium hydroxide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-06-08 EP claimed