Bicarbonate

Bicarbonate

SCHEMBL27969321

O=C([O-])O.O=C([O-])O.O=C([O-])O.[Na+].[Zn+2]

nearest known ligand 0.55

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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 16)

geneUniProtsupporting neighboursconfidence
CA4 P22748 6/20 0.55
FAHD1 Q6P587 1/20 0.55
CA1 P00915 3/20 0.50
MEN1 O00255 1/20 0.43
LDHA P00338 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 2/20 0.40
LMNA P02545 2/20 0.40
CASP1 P29466 1/20 0.40
CA9 Q16790 1/20 0.40
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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 SCHEMBL19900044 0.95 CA4 (0.50) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL1315939 0.94
Bicarbonate SCHEMBL9638573 0.94 CA4 (0.60) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL222994 0.94 CA4 (0.60) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL1929377 0.94
Bicarbonate SCHEMBL1332486 0.94
Bicarbonate SCHEMBL10646323 0.94 CA4 (0.60) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL83 0.94
Bicarbonate SCHEMBL5403678 0.94 CA4 (0.60) CA4FAHD1CA1MEN1LDHA
Bicarbonate SCHEMBL15321596 0.94 CA4 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102590114-B Method for detecting iodine content in phosphate ore YUNNAN PHOSPHATE CHEM GROUP 2014-07-02 CN claimed
CN-102590114-B Method for detecting iodine content in phosphate ore YUNNAN PHOSPHATE CHEM GROUP 2014-07-02 CN disclosed