Bicarbonate

Bicarbonate

SCHEMBL9017535

CCCCC(CC)C(OO)C(C)(C)C.O=C(O)O.O=C(O)O

nearest known ligand 0.44

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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 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 4/20 0.41
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDF Q9HBH1 1/20 0.33
CTSK P43235 2/20 0.32
CTSS P25774 1/20 0.32
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL28647023 0.83 CA2 (0.44) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL1404250 0.80 CA2 (0.39) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL3281927 0.80 CA2 (0.42) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL14690763 0.78 CA2 (0.40) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL1404251 0.78 CA2 (0.40) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL3277957 0.77 CA2 (0.35) CA2MAPK1CA1TSHRCYP3A4
SCHEMBL7781244 0.77 TSHR (0.40) CA2MAPK1CA1TSHRCYP3A4
SCHEMBL14690765 0.76 CA2 (0.39) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL7781250 0.75 HCAR2 (0.44) CA2MAPK1CA1TSHRATM
SCHEMBL7781247 0.75 HCAR2 (0.44) CA2MAPK1CA1TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742091-B1 THE USE OF ALUMINIUM DIBROMOSALICYLATE, A PROCESS FOR PREPARING NON-FLAMMABLE ORGANIC PLASTICS, AND A FLAME RETARDANT COMPOSITION FOR ITS PREPARATION Synthos Sa (PL) 2015-11-04 EP disclosed
EP-2742091-A1 THE USE OF ALUMINIUM DIBROMOSALICYLATE, A PROCESS FOR PREPARING NON-FLAMMABLE ORGANIC PLASTICS, AND A FLAME RETARDANT COMPOSITION FOR ITS PREPARATION Synthos S.A. (PL) 2014-06-18 EP disclosed
WO-2013022361-A1 THE USE OF ALUMINIUM DIBROMOSALICYLATE, A PROCESS FOR PREPARING NON-FLAMMABLE ORGANIC PLASTICS, AND A FLAME RETARDANT COMPOSITION FOR ITS PREPARATION SYNTHOS S.A. (PL) 2013-02-14 WO disclosed
EP-0439079-B1 Method of producing olefin polymer graft copolymers MONTELL NORTH AMERICA INC (US) 1996-04-03 EP disclosed
US-5140074-A Grafting unsaturated monomers onto polyolefins using free radical catalysts in an oxygen-free atmosphere HIMONT INCORPORATED (US) 1992-08-18 US disclosed
EP-0439079-A2 Method of producing olefin polymer graft copolymers MONTELL NORTH AMERICA INC. (US) 1991-07-31 EP disclosed