Bicarbonate

Bicarbonate

SCHEMBL28294462

C=CC.O=C(O)O.O=C=O

nearest known ligand 0.41

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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 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 2/20 0.32
FGFR4 P22455 1/20 0.32
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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 SCHEMBL15310 0.89
Bicarbonate SCHEMBL47913 0.89 LMNA (0.50) LMNAALDH1A1CA1CA2CA9
Bicarbonate SCHEMBL20954184 0.89 LMNA (0.50) LMNAALDH1A1CA1CA2CA9
Bicarbonate SCHEMBL29150348 0.89 LMNA (0.50) LMNAALDH1A1CA1CA2CA9
Bicarbonate SCHEMBL226943 0.89 LMNA (0.50) LMNAALDH1A1CA1CA2CA9
Bicarbonate SCHEMBL28169410 0.89 LMNA (0.50) LMNAALDH1A1CA1CA2CA9
Bicarbonate SCHEMBL325796 0.89 LMNA (0.50) LMNAALDH1A1CA1CA2CA9
Bicarbonate SCHEMBL21612732 0.89 LMNA (0.50) LMNAALDH1A1CA1CA2CA9
Bicarbonate SCHEMBL28734227 0.89 LMNA (0.50) LMNAALDH1A1CA1CA2CA9
Bicarbonate SCHEMBL10595828 0.87 LMNA (0.37) LMNAALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106977676-B A kind of synthesis and its application of nitrogenous functional mesoporous polymer 华东师范大学 2019-04-30 CN claimed