Bicarbonate

Bicarbonate

SCHEMBL3268124

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

nearest known ligand 0.52

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 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.52
DNM1 Q05193 8/20 0.50
HTT P42858 1/20 0.50
BBOX1 O75936 1/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
SLC22A1 O15245 1/20 0.48

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 SCHEMBL829819 1.00 LSS (0.52) LSSDNM1HTTBBOX1CES2
Bicarbonate SCHEMBL28711949 1.00 LSS (0.52) LSSDNM1HTTBBOX1CES2
Bicarbonate SCHEMBL28426177 1.00 LSS (0.52) LSSDNM1HTTBBOX1CES2
Bicarbonate SCHEMBL8995828 0.98 LSS (0.50) LSSDNM1HTTBBOX1CES2
Oxalic Acid SCHEMBL7624948 0.93 LSS (0.50) LSSDNM1HTTBBOX1CES2
Acetic Acid SCHEMBL8378663 0.93 LSS (0.50) LSSDNM1HTTBBOX1CES2
Acetic Acid SCHEMBL5573581 0.93 LSS (0.50) LSSDNM1HTTBBOX1CES2
Acetic Acid SCHEMBL5574393 0.93 LSS (0.50) LSSDNM1HTTBBOX1CES2
Acetic Acid SCHEMBL11125571 0.93 LSS (0.50) LSSDNM1HTTBBOX1CES2
Bicarbonate SCHEMBL9763312 0.93 LSS (0.50) LSSDNM1HTTBBOX1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963550-B1 USE OF AN ION-SELECTIVE ELECTRODE AND METHOD FOR SELECTIVE DETERMINATION OF CARBON DIOXIDE IN BODY FLUIDS KONELAB CORP (FI) 2010-06-09 EP claimed
EP-0963550-A1 ION-SELECTIVE ELECTRODE AND METHOD FOR SELECTIVE DETERMINATION OF ANALYTES IN BODY FLUIDS Konelab Corporation (FI) 1999-12-15 EP claimed
WO-1998038503-A1 ION-SELECTIVE ELECTRODE AND METHOD FOR SELECTIVE DETERMINATION OF ANALYTES IN BODY FLUIDS KONELAB CORPORATION (FI) 1998-09-03 WO claimed
EP-0963550-B1 USE OF AN ION-SELECTIVE ELECTRODE AND METHOD FOR SELECTIVE DETERMINATION OF CARBON DIOXIDE IN BODY FLUIDS KONELAB CORP (FI) 2010-06-09 EP disclosed
EP-1337507-A1 CARBONATE IONOPHORE WITH IMPROVED SELECTIVITY FOR CARBONATE DADE BEHRING INC. (US) 2003-08-27 EP disclosed
WO-2002042255-A1 CARBONATE IONOPHORE WITH IMPROVED SELECTIVITY FOR CARBONATE DADE BEHRING INC. (US) 2002-05-30 WO disclosed
US-6391175-B1 CARBONATES OR SALICYLATE COMPOUNDS AS IONOPHORS DADE BEHRING INC. 2002-05-21 US disclosed
EP-0963550-A1 ION-SELECTIVE ELECTRODE AND METHOD FOR SELECTIVE DETERMINATION OF ANALYTES IN BODY FLUIDS Konelab Corporation (FI) 1999-12-15 EP disclosed
WO-1998038503-A1 ION-SELECTIVE ELECTRODE AND METHOD FOR SELECTIVE DETERMINATION OF ANALYTES IN BODY FLUIDS KONELAB CORPORATION (FI) 1998-09-03 WO disclosed
EP-0358991-B2 Test device for an optical determination of cations, anions or electrically neutral ionogenic species, and test method using said device MOELLER WILLI AG (CH) 1998-02-11 EP disclosed
EP-0281829-B1 Adducts of ketonic compounds with the anions of oxygenated acids, process for their preparation, their use and azo ketonic compounds MOELLER WILLI AG (CH) 1994-05-04 EP disclosed
EP-0281829-A2 Adducts of ketonic compounds with the anions of oxygenated acids, process for their preparation, their use and azo ketonic compounds Willi Möller AG (CH) 1988-09-14 EP disclosed