Bicarbonate

Bicarbonate

SCHEMBL16239859

CC1(C)CC(c2cccc(NC3CC3)c2)Nc2ccc(Cl)cc21.O=C(O)O

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.37
▸ PRKAG1 P54619 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ PRKAB1 Q9Y478 2/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ F11 P03951 11/20 0.35
▸ F7 P08709 11/20 0.35
▸ F10 P00742 10/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ IDO1 P14902 1/20 0.34

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 SCHEMBL16240210 0.85 LMNA (0.37) CCR5
SCHEMBL2135434 0.83 PRKAG1 (0.37) ATMPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL2136073 0.83 PRKAG1 (0.37) ATMPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL2135784 0.81 F11 (0.42) F11F7
Bicarbonate SCHEMBL16239828 0.81 PRKAB2 (0.42) ATMPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL2135328 0.79 PGR (0.44) F11F7
SCHEMBL2134822 0.79 F11 (0.36) PRKAG1PRKAA1PRKAB1F11F7
SCHEMBL2729952 0.78 F7 (0.45) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
Bicarbonate SCHEMBL16240209 0.78 MLNR (0.36) F11F7F10CYP11B1CYP11B2
Bicarbonate SCHEMBL16239474 0.77 CCR5 (0.33) CCR5KMT2A

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-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP claimed
Send feedback