Bicarbonate

Bicarbonate

SCHEMBL935560

CC(F)CCF.O=C(O)O.O=C(O)O

nearest known ligand 0.39

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
GABRR1 P24046 2/20 0.39
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL15005590 0.85
SCHEMBL726011 0.85
Bicarbonate SCHEMBL29165622 0.79
SCHEMBL14141002 0.72
SCHEMBL1032059 0.72
SCHEMBL1032057 0.72
SCHEMBL9851281 0.72
SCHEMBL14141000 0.72
SCHEMBL4339438 0.72
SCHEMBL6709817 0.69

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416948-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University Of Queensland (AU) 2018-12-26 EP disclosed
EP-3259253-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2017-12-27 EP disclosed
WO-2017140778-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2017-08-24 WO disclosed
WO-2016131098-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2016-08-25 WO disclosed
EP-2928888-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS Hutchison Medipharma Limited (CN) 2015-10-14 EP disclosed
WO-2014086316-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-06-12 WO disclosed
EP-2718293-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS Hutchison Medipharma Limited (CN) 2014-04-16 EP disclosed
EP-2673260-A1 GLUCAGON RECEPTOR MODULATOR Pfizer Inc (US) 2013-12-18 EP disclosed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 EP disclosed
WO-2012167423-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-12-13 WO disclosed
EP-0743939-A1 ARALKOXY AND ARALKYLTHIO SUBSTITUTED AZACYCLIC COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1996-11-27 EP disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
EP-0674651-A1 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1995-10-04 EP disclosed
WO-1995021819-A1 ARALKOXY AND ARALKYLTHIO SUBSTITUTED AZACYCLIC COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-08-17 WO disclosed
EP-0663912-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1995-07-26 EP disclosed
WO-1995016675-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO disclosed
EP-0641356-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC. (US) 1995-03-08 EP disclosed
EP-0663912-A4 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION. ABBOTT LAB (US) 1995-02-17 EP disclosed
WO-1994014833-A2 SUBSTITUTED 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1994-07-07 WO disclosed
WO-1994008992-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-04-28 WO disclosed