Bicarbonate

Bicarbonate

SCHEMBL28277653

O=C(O)O.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

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
MGLL Q99685 3/20 0.36
PARL Q9H300 3/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX12 P18054 1/20 0.32
KMT2A Q03164 2/20 0.31
ATM Q13315 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
SCHEMBL17447 0.95 MGLL (0.37) MGLLPARLCA12CA1CA9
Ethylene Glycol SCHEMBL8522385 0.86 MGLL (0.33) MGLLPARLALOX12
SCHEMBL2139612 0.85 MGLL (0.35) MGLLPARL
SCHEMBL28388369 0.84 PARL (0.33) MGLLPARLALOX12
SCHEMBL5570883 0.83 PARL (0.35) MGLLPARL
SCHEMBL19928412 0.82 MGLL (0.35) MGLLPARL
SCHEMBL8402012 0.82 MGLL (0.32) MGLL
SCHEMBL57128 0.82 PARL (0.38) MGLLPARLCA12CA1CA9
SCHEMBL3276680 0.82 MGLL (0.36) MGLLPARLCA12CA1CA9
Pyridine SCHEMBL3849496 0.82 PARL (0.37) MGLLPARLCA12CA1CA9

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-105037523-B Interferon mutant and its polyethyleneglycol derivative 北京三元基因药业股份有限公司 2019-02-19 CN disclosed