Bicarbonate

Bicarbonate

SCHEMBL5799013

O=C(O)O.c1ccc2c(c1)=c1ccccc1=2

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.50
CES2 O00748 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
ALOX15 P16050 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 4/20 0.45
CA2 P00918 3/20 0.45
CA4 P22748 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA3 P07451 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
Acetic Acid SCHEMBL27512238 0.86 CES2 (0.50) CES1CES2ALDH1A1TSHRALOX15
Benzoic Acid SCHEMBL1785802 0.81 TSHR (0.82) CES1CES2ALDH1A1TSHRDAO
Terephthalic Acid SCHEMBL7526066 0.81 TSHR (0.72) CES1CES2ALDH1A1TSHRALOX15
SCHEMBL9312487 0.78 KMT2A (0.47) ALDH1A1MAPTCYP2C19SMN1; SMN2MAPK1
Propionic Acid SCHEMBL9312830 0.78 FFAR3 (0.56) CES1CES2ALDH1A1TSHRALOX15
SCHEMBL49871 0.78 ALOX12 (0.46) ALDH1A1TSHRALOX15TDP1CA2
SCHEMBL58153 0.78 ALOX12 (0.46) ALDH1A1TSHRALOX15TDP1CA2
Biphenyl SCHEMBL190337 0.77 ALDH1A1 (0.69) CES1CES2ALDH1A1TSHRALOX15
Naphthalene SCHEMBL3278833 0.77 CYP2A6 (0.61) CES1CES2ALDH1A1TSHRALOX15
Bicarbonate SCHEMBL7644062 0.77 CES1 (0.50) CES1CES2ALDH1A1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111073167-A Thermoplastic resin composition and resin molded article 旭化成株式会社 2020-04-28 CN disclosed
CN-111019259-A Thermoplastic resin composition and molded article 旭化成株式会社 2020-04-17 CN disclosed
CN-102483598-B Electrophotographic belt and electrophotographic apparatus CANON KK 2015-04-01 CN disclosed
CN-103748174-A Uncoated housing and method for manufacturing same ASAHI KASEI CHEMICALS CORP 2014-04-23 CN disclosed
CN-102483598-A Electrophotographic belt and electrophotographic apparatus CANON KK 2012-05-30 CN disclosed
CN-102037567-A Back surface protective film for solar cell and solar cell module having same TECHNO POLYMER CO LTD 2011-04-27 CN disclosed
WO-2006027110-A1 METHOD FOR THE PRODUCTION OF POLYCARBONATE BAYER MATERIALSCIENCE AG (DE) 2006-03-16 WO disclosed
CN-1097616-C Thermoplastic resin composition and method of producing the same POLYPLASTICS CO (JP) 2003-01-01 CN disclosed
JP-2002053658-A METHOD FOR PRODUCING AROMATIC POLYCARBONATE ASAHI KASEI CORP 2002-02-19 JP disclosed
JP-2002047344-A METHOD FOR MANUFACTURING AROMATIC POLYCARBONATE ASAHI KASEI CORP 2002-02-12 JP disclosed
JP-2002030142-A PROCESS FOR PRODUCING AROMATIC POLYCARBONATE ASAHI KASEI CORP 2002-01-31 JP disclosed
CN-1170735-A Thermoplastic resin composition and method of producing the same POLYPLASTICS CO (JP) 1998-01-21 CN disclosed
US-5079127-A Methine Dyes CANON KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed
US-5079128-A Thin film containing a methine dye having at least two dimethylaminophenyl groups and a carbonium ion; laser writing; heat resistance CANON KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed
CN-88102619-A The thermoplastic resin composition 1988-11-30 CN disclosed