Bicarbonate

Bicarbonate

SCHEMBL1132307

CCCCN(CCO)CCO.CCCCN(CCO)CCO.O=C(O)O

nearest known ligand 0.47

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
KDM5A P29375 4/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
PHF8 Q9UPP1 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
ALDH1A1 P00352 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
LMNA P02545 3/20 0.38
ICMT O60725 1/20 0.38
ALB P02768 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38

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 SCHEMBL1131246 1.00 KDM5A (0.47) KDM5ACA12CA1CA9PHF8
Acetic Acid SCHEMBL1131176 0.93 KDM5A (0.46) KDM5ACA12CA1CA9PHF8
Oxalic Acid SCHEMBL1131167 0.93 KDM5A (0.46) KDM5ACA12CA1CA9PHF8
Oxalic Acid SCHEMBL30185057 0.93 KDM5A (0.46) KDM5ACA12CA1CA9PHF8
Acetic Acid SCHEMBL8679146 0.93 KDM5A (0.46) KDM5ACA12CA1CA9PHF8
Glycolic Acid SCHEMBL1131480 0.91 KDM5A (0.49) KDM5ACA12CA1CA9PHF8
Propionic Acid SCHEMBL1131223 0.91 KDM5A (0.49) KDM5ACA12CA1CA9PHF8
Trolamine SCHEMBL11973736 0.90 ALDH1A1 (0.47) KDM5ACA12CA1CA9PHF8
Bicarbonate SCHEMBL5874864 0.90 CA12 (0.54) KDM5ACA12CA1CA9PHF8
SCHEMBL43801 0.90 ALDH1A1 (0.47) KDM5ACA12CA1CA9PHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US claimed
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 EP claimed
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
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 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