Bicarbonate

Bicarbonate

SCHEMBL6442737

CCCCC(C)C(C)CCCC.O=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
CA2 P00918 3/20 0.52
MAPK1 P28482 1/20 0.52
ACE2 Q9BYF1 1/20 0.45
GPR84 Q9NQS5 4/20 0.44
CA1 P00915 3/20 0.44
FFAR1 O14842 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
FDPS P14324 1/20 0.42
SLC15A1 P46059 1/20 0.42
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL5283650 0.85 AKR1B1 (0.52) GPR84FFAR1PPARDTDP1AKR1B1
SCHEMBL22500721 0.85 GPR84 (0.50) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL22345156 0.85 DNM1 (0.47) CA2MAPK1CA1FDPSTDP1
SCHEMBL3185161 0.85 DNM1 (0.47) CA2MAPK1CA1FDPSTDP1
SCHEMBL5878832 0.84 AKR1B1 (0.62) GPR84FFAR1MAPTPPARDTDP1
Bicarbonate SCHEMBL19582709 0.83 CA2 (0.52) CA2MAPK1ACE2GPR84CA1
Bicarbonate SCHEMBL8576736 0.83 CA2 (0.52) CA2MAPK1ACE2GPR84CA1
SCHEMBL20489965 0.82 CA2 (0.41) CA2MAPK1ACE2GPR84CA1
SCHEMBL6250281 0.82 CA2 (0.52) CA2MAPK1ACE2GPR84CA1
SCHEMBL905445 0.82 CA2 (0.52) CA2MAPK1ACE2GPR84CA1

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-0982342-B1 Polyamide having excellent stretching properties UBE INDUSTRIES (JP) 2005-03-23 EP claimed