Bicarbonate

Bicarbonate

SCHEMBL8320369

CC(O)C[N+](C)(C)C.O=C([O-])O

nearest known ligand 0.54

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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
SLC22A16 Q86VW1 1/20 0.54
MAPT P10636 3/20 0.48
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
TSHR P16473 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
TBXA2R P21731 1/20 0.41
LMNA P02545 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2C9 P11712 1/20 0.40
GALR3 O60755 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
HRH1 P35367 1/20 0.39

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
Bicarbonate SCHEMBL28323257 0.92 SLC22A16 (0.56) SLC22A16MAPTCPT2CPT1ATSHR
Acetic Acid SCHEMBL5670671 0.90 SLC22A16 (0.54) SLC22A16MAPTCPT2CPT1ATSHR
Bicarbonate SCHEMBL28323258 0.90 MAPT (0.52) SLC22A16MAPTCPT2CPT1ATSHR
Acetic Acid SCHEMBL11505402 0.88 SLC22A16 (0.52) SLC22A16MAPTCPT2CPT1ATSHR
Acetic Acid SCHEMBL31405638 0.88 SLC22A16 (0.52) SLC22A16MAPTCPT2CPT1ATSHR
Acetic Acid SCHEMBL11505398 0.88 SLC22A16 (0.52) SLC22A16MAPTCPT2CPT1ATSHR
Acetic Acid SCHEMBL28210362 0.87 MAPT (0.50) SLC22A16MAPTCPT2CPT1ATSHR
Carbamic Acid SCHEMBL11505013 0.86 SLC22A16 (0.50) SLC22A16MAPTCPT2CPT1ATSHR
Propionic Acid SCHEMBL11657756 0.86 SLC22A16 (0.56) SLC22A16MAPTCPT2CPT1ATSHR
Carbamic Acid SCHEMBL11505008 0.86 MAPT (0.50) SLC22A16MAPTCPT2CPT1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5887653-A USING QUATERNARY AMMONIUM COMPOUND PLAINSMAN TECHNOLOGY, INC. (US) 1999-03-30 US claimed
CN-105829375-B Allophanate-isocyanurateing catalyst, polyisocyanate composition, method for producing the composition, and two-component coating composition 东曹株式会社 2019-09-20 CN disclosed
CN-105829375-A Allophanate-isocyanurateing catalyst, polyisocyanate composition, method for producing the composition, and two-component coating composition 东曹株式会社 2016-08-03 CN disclosed
US-5887653-A USING QUATERNARY AMMONIUM COMPOUND PLAINSMAN TECHNOLOGY, INC. (US) 1999-03-30 US disclosed