Bicarbonate

Bicarbonate

SCHEMBL7546674

CCOC(=O)CCc1ccc(C2CCNCC2O)cc1.O=C(O)O

nearest known ligand 0.53

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 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
HRH3 Q9Y5N1 1/20 0.43
CYP4Z1 Q86W10 1/20 0.40
ALOX5 P09917 1/20 0.37
REN P00797 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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 SCHEMBL7548037 0.80 CA12 (0.50) MAPTPKMALOX5
SCHEMBL6042500 0.76 CYP4F2 (0.47) CYP4F2CYP4A11HRH3CYP4Z1ALDH1A1
SCHEMBL7544523 0.75 REN (0.67) REN
SCHEMBL7076465 0.75 HRH3 (0.45) CYP4F2CYP4A11HRH3CYP4Z1ALDH1A1
SCHEMBL6042417 0.75 REN (0.37) REN
Bicarbonate SCHEMBL7445647 0.73 JAK3 (0.38) MAPTPKM
Bicarbonate SCHEMBL7443967 0.73 MAPT (0.49) MAPTPKM
SCHEMBL17485168 0.72 MAPT (0.60) MAPTPKMREN
SCHEMBL5931598 0.72 CYP4F2 (0.54) CYP4F2CYP4A11HRH3CYP4Z1
SCHEMBL68902 0.72 CYP4F2 (0.85) MAPTCYP4F2CYP4A11HRH3CYP4Z1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed