Bicarbonate

Bicarbonate

SCHEMBL997094

CC1=CC2CCC1C2.O=C(O)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 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
MAPT P10636 1/20 0.34
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
GPR35 Q9HC97 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
Bicarbonate SCHEMBL8652449 1.00 CYP19A1 (0.36) CYP19A1MAPTAKR1C3AKR1C1GPR35
SCHEMBL1416850 0.79
SCHEMBL17200865 0.78 ALDH1A1 (0.46) CYP19A1
SCHEMBL2010694 0.74
SCHEMBL218876 0.72 CYP19A1 (0.36) CYP19A1MAPTAKR1C3AKR1C1
SCHEMBL5057907 0.72 CYP19A1 (0.36) CYP19A1MAPTAKR1C3AKR1C1
SCHEMBL28451456 0.72 CYP19A1 (0.36) CYP19A1MAPTAKR1C3AKR1C1
SCHEMBL2000716 0.71 CYP19A1 (0.36) CYP19A1
SCHEMBL5961832 0.71 MAPT (0.35) CYP19A1MAPTAKR1C3AKR1C1
Acetic Acid SCHEMBL9517248 0.69 CYP19A1 (0.38) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7876403-B2 Optical compensation film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2011-01-25 US disclosed
US-20090180059-A1 OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-07-16 US disclosed
WO-2007064029-A1 OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-06-07 WO disclosed
EP-0202316-A1 METHYL SUBSTITUTED BICYCLO AD2.2.1 BD HEPTANE/HEPTENE METHYLOL DERIVATIVES AND THEIR USE AS SCENTS Dragoco Gerberding & Co. GmbH (DE) 1986-11-26 EP disclosed
WO-1986003191-A1 METHYL SUBSTITUTED BICYCLO AD2.2.1 BD HEPTANE/HEPTENE METHYLOL DERIVATIVES AND THEIR USE AS SCENTS DRAGOCO GERBERDING & CO. GMBH (DE) 1986-06-05 WO disclosed