Bicarbonate

Bicarbonate

SCHEMBL5211571

CCN(CC1CCCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCC2.Cl.O=C(O)O

nearest known ligand 0.39

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 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.39

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 SCHEMBL5180403 0.98 CETP (0.39) CETP
SCHEMBL1901934 0.95 CETP (0.36) CETP
Hydrochloric Acid SCHEMBL1899513 0.94 CETP (0.36) CETP
Bicarbonate SCHEMBL5195992 0.93 CETP (0.40) CETP
SCHEMBL1897884 0.93 CETP (0.36) CETP
Hydrochloric Acid SCHEMBL1905409 0.93 CETP (0.47) CETP
Bicarbonate SCHEMBL5211983 0.92 CETP (0.39) CETP
Bicarbonate SCHEMBL5209560 0.92 CETP (0.35) CETP
SCHEMBL4831003 0.92 CETP (0.48) CETP
Bicarbonate SCHEMBL5182227 0.92 CETP (0.40) CETP

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
EP-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP claimed