Bicarbonate

Bicarbonate

SCHEMBL5674166

O=C(O)O.O[C@H]1C=CC=C[C@@H]1O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

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 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 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
Benzene SCHEMBL1359370 0.85
SCHEMBL5823167 0.84
SCHEMBL637978 0.84
SCHEMBL10485521 0.84
SCHEMBL15396243 0.81
SCHEMBL10843946 0.67
SCHEMBL17886478 0.66
Bicarbonate SCHEMBL27346024 0.66
Benzene SCHEMBL1122633 0.61 CA1 (0.71) CA1CA2CA9POLBTDP1
Bicarbonate SCHEMBL3788347 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313870-B8 METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2006-01-11 EP claimed
EP-1313870-B1 METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2005-09-21 EP claimed
EP-1313870-A2 METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE Forschungszentrum Jülich (DE) 2003-05-28 EP claimed
WO-2002018611-A2 METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE Forschungszentrum Jülich GmbH (DE) 2002-03-07 WO claimed
EP-1313870-B8 METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2006-01-11 EP disclosed
EP-1313870-B1 METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2005-09-21 EP disclosed
EP-1313870-A2 METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE Forschungszentrum Jülich (DE) 2003-05-28 EP disclosed
WO-2002018611-A2 METHOD FOR THE IMPROVED PRODUCTION AND ISOLATION OF TRANS-DIHYDROXYCYCLOHEXADIENE CARBOXYLIC ACIDS AND/OR DERIVATIVES THEREOF AND A GENETICALLY MODIFIED ORGANISM SUITABLE FOR THE ABOVE Forschungszentrum Jülich GmbH (DE) 2002-03-07 WO disclosed