Bicarbonate

Bicarbonate

SCHEMBL980228

C=CC=Cc1ccccc1.O=C(O)O

nearest known ligand 0.56

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
MAOB P27338 4/20 0.56
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TRPA1 O75762 1/20 0.54
ALOX5 P09917 1/20 0.54
MAPK1 P28482 1/20 0.54
HDAC1 Q13547 4/20 0.52
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
PLIN1 O60240 2/20 0.52
MAPT P10636 2/20 0.52
RECQL P46063 2/20 0.52

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
Acetone SCHEMBL10911886 0.91 GLA (0.55) MAOBLMNAALDH1A1TRPA1ALOX5
Bicarbonate SCHEMBL17180457 0.91 MAOB (0.58) MAOBLMNAALDH1A1TRPA1ALOX5
Acrylic Acid SCHEMBL27956208 0.91 HDAC3 (0.54) MAOBLMNAALDH1A1TRPA1ALOX5
Formaldehyde SCHEMBL28078899 0.91 MAOB (0.62) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL33879 0.91 MAOB (0.68) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL4936136 0.91 MAOB (0.68) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL27481341 0.91 MAOB (0.68) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL93419 0.91 MAOB (0.68) MAOBLMNAALDH1A1TRPA1ALOX5
SCHEMBL29695867 0.88 MAOB (0.65) MAOBLMNAALDH1A1TRPA1ALOX5
Ammonia Solution, Strong SCHEMBL1374279 0.88 MAOB (0.65) MAOBLMNAALDH1A1TRPA1ALOX5

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
EP-1892789-B1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2018-02-28 EP disclosed
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed