Bicarbonate

Bicarbonate

SCHEMBL1831706

COCCNCCOC.O=C(O)O

nearest known ligand 0.46

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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 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
ADRB2 P07550 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 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 SCHEMBL1834592 1.00 KDM4E (0.46) KDM4EALDH1A1TSHRATMMEN1
Oxalic Acid SCHEMBL1835271 0.92 KDM4E (0.53) KDM4EALDH1A1TSHRATMMEN1
Acetic Acid SCHEMBL358197 0.92 KDM4E (0.45) KDM4EALDH1A1TSHRATMMEN1
Oxalic Acid SCHEMBL1835268 0.92 KDM4E (0.53) KDM4EALDH1A1TSHRATMMEN1
Succinic Acid SCHEMBL1833027 0.87 ALDH1A1 (0.52) KDM4EALDH1A1TSHRATMMEN1
Propionic Acid SCHEMBL1832892 0.87 FFAR3 (0.48) KDM4EALDH1A1TSHRATMMEN1
Pyruvate SCHEMBL1832071 0.87 KDM4E (0.46) KDM4EALDH1A1TSHRATMMEN1
Succinic Acid SCHEMBL1833030 0.87 ALDH1A1 (0.52) KDM4EALDH1A1TSHRATMMEN1
Glycolic Acid SCHEMBL1839459 0.87 KDM4E (0.46) KDM4EALDH1A1TSHRATMMEN1
Fumaric Acid SCHEMBL1833865 0.85 HCAR2 (0.50) KDM4EALDH1A1TSHRATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed