Bicarbonate

SCHEMBL9013971

O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.50

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 16)

	gene	UniProt	supporting neighbours	confidence
▸	CA4	P22748	6/20	0.50

▸	CA1	P00915	3/20	0.50

▸	CA2	P00918	2/20	0.50

▸	CA9	Q16790	1/20	0.50

▸	FAHD1	Q6P587	1/20	0.50

▸	MEN1	O00255	1/20	0.40

▸	LDHA	P00338	1/20	0.40

▸	BLM	P54132	1/20	0.40

▸	KMT2A	Q03164	1/20	0.40

▸	LMNA	P02545	2/20	0.38

▸	CASP1	P29466	1/20	0.38

▸	FFAR3	O14843	1/20	0.32

▸	HDAC3	O15379	1/20	0.32

▸	HDAC1	Q13547	1/20	0.32

▸	HDAC2	Q92769	1/20	0.32

▸	HDAC8	Q9BY41	1/20	0.32

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
Bicarbonate SCHEMBL9436976	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL7983250	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL7527293	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL9004283	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL15103409	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL10379498	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL9001699	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL8009950	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL7996596	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1
Bicarbonate SCHEMBL9437102	1.00	CA4 (0.50)	CA4CA1CA2CA9FAHD1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0743977-A1	GRANULAR BUILDER PRODUCT	BRUNNER MOND & COMPANY LIMITED (GB)	1996-11-27	—	—	EP	claimed
WO-1995021237-A1	GRANULAR BUILDER PRODUCT	BRUNNER MOND & COMPANY LIMITED (GB)	1995-08-10	—	—	WO	claimed