Bicarbonate

Bicarbonate

SCHEMBL3271997

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.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
DNM1 Q05193 9/20 0.52
HTT P42858 1/20 0.52
SLC22A1 O15245 1/20 0.50
PPARG P37231 3/20 0.48
PPARD Q03181 3/20 0.48
PPARA Q07869 3/20 0.48
TSHR P16473 2/20 0.48
GPR84 Q9NQS5 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LSS P48449 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
TLR2 O60603 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
FABP4 P15090 1/20 0.48
ALOX15 P16050 1/20 0.48
PTPN1 P18031 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 SCHEMBL829820 1.00 DNM1 (0.52) DNM1HTTSLC22A1PPARGPPARD
Bicarbonate SCHEMBL28711948 1.00 DNM1 (0.52) DNM1HTTSLC22A1PPARGPPARD
Bicarbonate SCHEMBL28426176 1.00 DNM1 (0.52) DNM1HTTSLC22A1PPARGPPARD
Oxalic Acid SCHEMBL7624957 0.93 DNM1 (0.50) DNM1HTTSLC22A1PPARGPPARD
Hydrogen Peroxide SCHEMBL28255505 0.92 DNM1 (0.60) DNM1HTTSLC22A1TSHRLSS
Oxalic Acid SCHEMBL29167020 0.91 DNM1 (0.52) DNM1HTTSLC22A1PPARGPPARD
Bicarbonate SCHEMBL29180238 0.91 LSS (0.50) DNM1HTTSLC22A1LSS
Bicarbonate SCHEMBL9763312 0.91 LSS (0.50) DNM1HTTSLC22A1LSS
Bicarbonate SCHEMBL7573774 0.91 LSS (0.50) DNM1HTTSLC22A1LSS
Tributylmethylammonium SCHEMBL4357067 0.90 SLC22A1 (0.43) DNM1SLC22A1PPARGPPARDPPARA

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 9 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