Bicarbonate

Bicarbonate

SCHEMBL1830889

CNCCO.CNCCO.O=C(O)O

nearest known ligand 0.36

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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 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
KISS1R Q969F8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30

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 SCHEMBL600163 1.00
Acetic Acid SCHEMBL1832152 0.91
Oxalic Acid SCHEMBL1837735 0.91 KDM4E (0.39) MEN1USP2ALDH1A1MAPTKMT2A
Sulfuric Acid SCHEMBL5028523 0.89 KDM4A (0.32) MEN1USP2ALDH1A1MAPTKMT2A
Glycolic Acid SCHEMBL1831337 0.88 LDHA (0.35) MEN1USP2ALDH1A1MAPTKMT2A
Sulfuric Acid SCHEMBL5546505 0.87 KDM4A (0.32) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL15225 0.87
SCHEMBL6247615 0.87 CARM1 (0.37) MEN1USP2ALDH1A1MAPTKMT2A
Succinic Acid SCHEMBL1833489 0.86 EGLN1 (0.47) KDM4EKDM4AKDM4CTSHRCAMK2A
Pyruvate SCHEMBL1831472 0.86 ALDH1A1 (0.37) MEN1USP2ALDH1A1MAPTKMT2A

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 10 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
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN 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