Bicarbonate

Bicarbonate

SCHEMBL28971464

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

nearest known ligand 0.46

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 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 4/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
LMNA P02545 2/20 0.32
ALOX5 P09917 1/20 0.32
GAPDH P04406 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
SCHEMBL322831 0.80
SCHEMBL322830 0.80
SCHEMBL831105 0.80
SCHEMBL10636727 0.80
SCHEMBL9069089 0.75
SCHEMBL717666 0.75
SCHEMBL823069 0.75
SCHEMBL4105220 0.75 ALDH1A1 (0.61) ALDH1A1TRPA1MAPK1TSHRLMNA
SCHEMBL17363029 0.75 ALDH1A1 (0.61) ALDH1A1TRPA1MAPK1TSHRLMNA
SCHEMBL823155 0.75

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-115843307-A Carbonate-containing polyurea grease and use thereof 福斯油品集团 2023-03-24 CN disclosed