Bicarbonate

SCHEMBL27797481

O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=C([O-])O.O=C([O-])O.O=S(=O)(O)OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O)O[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O.[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[BiH3].[Ca+2]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3A GSK3B IMPA1

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 5)

	gene	UniProt	supporting neighbours	confidence
▸	FGF1	P05230	4/20	0.55

▸	FGF2	P09038	4/20	0.55

▸	SERPINC1	P01008	1/20	0.35

▸	HPSE	Q9Y251	11/20	0.32

▸	VEGFA	P15692	2/20	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.

Compound	similarity	top predicted	shared targets
Water SCHEMBL41379	0.93	FGF1 (0.61)	FGF1FGF2SERPINC1HPSE
Piperazine SCHEMBL28832657	0.90	FGF1 (0.55)	FGF1FGF2SERPINC1HPSE
Sucrosofate SCHEMBL145070	0.84	FGF1 (0.74)	FGF1FGF2SERPINC1HPSEVEGFA
Sucrosofate SCHEMBL16661861	0.84	FGF1 (0.74)	FGF1FGF2SERPINC1HPSEVEGFA
Sucrosofate SCHEMBL16661862	0.84	FGF1 (0.74)	FGF1FGF2SERPINC1HPSEVEGFA
Sucrosofate SCHEMBL145069	0.84	FGF1 (0.74)	FGF1FGF2SERPINC1HPSEVEGFA
Sucrosofate SCHEMBL18467935	0.84	FGF1 (0.74)	FGF1FGF2SERPINC1HPSEVEGFA
Sucrosofate SCHEMBL921799	0.83	FGF1 (0.72)	FGF1FGF2SERPINC1HPSEVEGFA
Sucrosofate SCHEMBL18742107	0.83	FGF1 (0.72)	FGF1FGF2SERPINC1HPSEVEGFA
Sucrosofate SCHEMBL19358882	0.78	FGF1 (0.65)	FGF1FGF2SERPINC1HPSEVEGFA

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-102442995-A	Heteroaryl-tetrahydropiperidyl compounds useful for treating or preventing pain	EURO CELTIQUE SA	2012-05-09	—	—	CN	disclosed
CN-101935315-A	Heteroaryl-tetrahydropiperidyl compounds useful for treating or preventing pain	EURO CELTIQUE SA	2011-01-05	—	—	CN	disclosed
CN-101914088-A	Piperidine compounds and pharmaceutical compositions containing them	EURO CELTIQUE SA	2010-12-15	—	—	CN	disclosed
CN-1856484-B	Heteroaryl-tetrahydropyridinyl compounds for the treatment or prevention of pain	EURO CELTIQUE SA	2010-09-22	—	—	CN	disclosed