Bicarbonate

Bicarbonate

SCHEMBL4555762

CCC(C)CC(O)O.CCCCCC(O)O.O=C(O)O

nearest known ligand 0.46

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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 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
GPR84 Q9NQS5 7/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.42
CA1 P00915 2/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40

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 SCHEMBL28737083 0.84 GPR84 (0.60) ACE2GPR84FFAR1FFAR4CA1
Bicarbonate SCHEMBL154438 0.84 GPR84 (0.60) ACE2GPR84FFAR1FFAR4CA1
Bicarbonate SCHEMBL4555786 0.84 TSHR (0.38) ACE2MAPTSLC1A2SLC1A1
Bicarbonate SCHEMBL28559081 0.82 GPR84 (0.64) ACE2GPR84FFAR1FFAR4MAPT
SCHEMBL4555763 0.82 ACE2 (0.40) ACE2GPR84FFAR1FFAR4CA1
Lactic Acid SCHEMBL10794173 0.78 GPR84 (0.59) ACE2GPR84FFAR1FFAR4CA1
SCHEMBL4651838 0.78 GPR84 (0.59) ACE2GPR84FFAR1FFAR4CA1
SCHEMBL15648675 0.78 GPR84 (0.59) ACE2GPR84FFAR1FFAR4CA1
Bicarbonate SCHEMBL18274643 0.78 ACE2 (0.64) ACE2GPR84FFAR1FFAR4CA1
Acetic Acid SCHEMBL15793456 0.78 GPR84 (0.58) ACE2GPR84FFAR1FFAR4CA1

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
US-20090312444-A1 CAST MOLDED ARTICLE MADE OF POLYURETHANE POROUS SUBSTANCE AND METHOD FOR PRODUCING THE SAME TOYO POLYMER CO., LTD. (JP) 2009-12-17 US disclosed