Bicarbonate

Bicarbonate

SCHEMBL29928922

O=C(O)O.O=C1NCc2ccccc21

nearest known ligand 0.84

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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 20)

geneUniProtsupporting neighboursconfidence
GSK3B known ✓ P49841 1/20 0.42
CA12 O43570 1/20 0.84
CA9 Q16790 1/20 0.84
CLK4 Q9HAZ1 3/20 0.56
DYRK1B Q9Y463 3/20 0.56
NTRK2 Q16620 2/20 0.56
TYRO3 Q06418 1/20 0.56
PARP1 P09874 3/20 0.55
PARP10 Q53GL7 2/20 0.55
PARP11 Q9NR21 2/20 0.55
PDPK1 O15530 1/20 0.55
GRM5 P41594 2/20 0.51
AURKA O14965 3/20 0.46
TDP2 O95551 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
MAP3K14 Q99558 1/20 0.46

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 SCHEMBL21081705 1.00 CA12 (0.84) CA12CA9CLK4DYRK1BNTRK2
SCHEMBL14896 0.92 CA12 (1.00) CA12CA9CLK4DYRK1BNTRK2
SCHEMBL4818277 0.92 CA12 (1.00) CA12CA9CLK4DYRK1BNTRK2
SCHEMBL29355184 0.92 CA12 (1.00) CA12CA9CLK4DYRK1BNTRK2
SCHEMBL11354047 0.90 CA12 (0.95) CA12CA9CLK4DYRK1BNTRK2
SCHEMBL8213864 0.90 CA12 (0.95) CA12CA9CLK4DYRK1BNTRK2
SCHEMBL8213866 0.90 CA12 (0.95) CA12CA9CLK4DYRK1BNTRK2
Water SCHEMBL19462706 0.90 CA12 (0.95) CA12CA9CLK4DYRK1BNTRK2
Hydrochloric Acid SCHEMBL5046932 0.90 CA12 (0.95) CA12CA9CLK4DYRK1BNTRK2
Water SCHEMBL19462703 0.90 CA12 (0.95) CA12CA9CLK4DYRK1BNTRK2

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-115190895-A High heat polycarbonate copolymer formulations 高新特殊工程塑料全球技术有限公司 2022-10-14 CN disclosed