Bicarbonate

Bicarbonate

SCHEMBL9638573

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

nearest known ligand 0.60

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 15)

geneUniProtsupporting neighboursconfidence
CA4 P22748 6/20 0.60
FAHD1 Q6P587 1/20 0.60
CA1 P00915 3/20 0.55
MEN1 O00255 1/20 0.46
LDHA P00338 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 2/20 0.43
CASP1 P29466 1/20 0.43
ACHE P22303 1/20 0.36
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36

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 SCHEMBL1332486 1.00
Bicarbonate SCHEMBL5403678 1.00 CA4 (0.60) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL1929377 1.00
Bicarbonate SCHEMBL83 1.00
Bicarbonate SCHEMBL15321596 1.00 CA4 (0.60) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL1332636 1.00
Bicarbonate SCHEMBL222994 1.00 CA4 (0.60) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL10646323 1.00 CA4 (0.60) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL8468228 0.94 CA1 (0.56) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL9247593 0.94 CA1 (0.56) CA4FAHD1CA1MEN1LDHA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207494-B Highly soluble acetone-added pyrroloquinoline quinone salt 三菱瓦斯化学株式会社 2020-01-21 CN disclosed
CN-1864707-A Vaginal effervescence tablet of Ainsliaea fragrans and preparation method thereof JIANGXI INST OF MATERIA MEDICA (CN) 2006-11-22 CN disclosed
EP-0289223-B1 REDUCTION OF CARBOXYLIC ESTERS Takeda Chemical Industries, Ltd. (JP) 1992-09-02 EP disclosed
EP-0289223-A1 Reduction of carboxylic esters Takeda Chemical Industries, Ltd. (JP) 1988-11-02 EP disclosed