Bicarbonate

Bicarbonate

SCHEMBL6566883

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

nearest known ligand 0.35

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 8)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.35
FAHD1 Q6P587 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.30
LDHA P00338 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 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.

Compoundsimilaritytop predictedshared targets
Bicarbonate SCHEMBL226679 0.86 CA4 (0.40) CA4FAHD1CA1CA2MEN1
SCHEMBL4410806 0.86
Bicarbonate SCHEMBL29273171 0.83 CA1 (0.43) CA4FAHD1CA1CA2MEN1
Bicarbonate SCHEMBL10755209 0.82
SCHEMBL29409712 0.82 CA1 (0.39) CA1CA2
SCHEMBL10768602 0.82
Bicarbonate SCHEMBL3824855 0.82 CA4 (0.43) CA4FAHD1CA1CA2MEN1
Sulfurous Acid SCHEMBL27338925 0.82 CA1 (0.50) CA1CA2
SCHEMBL9807536 0.79 CA1 (0.36) CA1CA2
Bicarbonate SCHEMBL28477433 0.74 CA1 (0.42) CA4FAHD1CA1CA2

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
CN-115364221-A Application of up-regulation expression promoter of Apelin/APJ pathway in medicine for treating renal injury caused by paraquat poisoning 海南医学院第一附属医院 2022-11-22 CN disclosed
EP-1418950-A1 SOLID-PHASE NUCLEOPHILIC FLUORINATION Amersham plc (GB) 2004-05-19 EP disclosed
WO-2003002157-A1 SOLID-PHASE NUCLEOPHILIC FLUORINATION AMERSHAM PLC (GB) 2003-01-09 WO disclosed