Bicarbonate

Bicarbonate

SCHEMBL4051182

C.O=C([O-])[O-].O=C([O-])[O-].[Ca+2].[Mg+2]

nearest known ligand 0.42

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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 9)

geneUniProtsupporting neighboursconfidence
CA4 P22748 5/20 0.42
CA1 P00915 2/20 0.42
FAHD1 Q6P587 1/20 0.42
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
LDHA P00338 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP1 P29466 1/20 0.31

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 SCHEMBL8931519 0.94 CA4 (0.46) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL30031849 0.94 CA4 (0.46) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL18005921 0.94 CA4 (0.46) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL2838817 0.94
Bicarbonate SCHEMBL75144 0.94 CA4 (0.46) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL6528407 0.94
Bicarbonate SCHEMBL455731 0.89 CA4 (0.42) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL9465334 0.89 CA4 (0.42) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL17868581 0.89 CA4 (0.42) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL8359062 0.89 CA4 (0.42) CA4CA1FAHD1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214408-A1 PREPARATION AND USE OF CATIONIC HALIDES, SEQUESTRATION OF CARBON DIOXIDE GREENSOLS AUSTRALIA PTY LTD (AU) 2009-08-27 US disclosed
EP-1899043-A1 PREPARATION AND USE OF CATIONIC HALIDES, SEQUESTRATION OF CARBON DIOXIDE Greensols Australia Pty Ltd (AU) 2008-03-19 EP disclosed
WO-2007003013-A1 PREPARATION AND USE OF CATIONIC HALIDES, SEQUESTRATION OF CARBON DIOXIDE GREENSOLS AUSTRALIA PTY LTD (AU) 2007-01-11 WO disclosed