Bicarbonate

Bicarbonate

SCHEMBL3271999

CCCCCCCCCCCCC(N)(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 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE4A P27815 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE3A Q14432 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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 SCHEMBL28711950 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Bicarbonate SCHEMBL28426178 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Bicarbonate SCHEMBL9751030 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Bicarbonate SCHEMBL829821 1.00 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL29060600 0.93 GPR84 (0.50) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL2204888 0.93 GPR84 (0.50) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL8065006 0.93 GPR84 (0.50) GPR84PPARGPPARDPPARAHDAC11
Oxalic Acid SCHEMBL28535006 0.93 GPR84 (0.50) GPR84PPARGPPARDPPARAHDAC11
Bicarbonate SCHEMBL4357070 0.90 FDPS (0.48) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL5343938 0.89 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11

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