Bicarbonate

Bicarbonate

SCHEMBL885152

CCCCC(C)CC.O=C(O)O

nearest known ligand 0.54

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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 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.54
MAPK1 P28482 1/20 0.54
ACE2 Q9BYF1 1/20 0.52
CA1 P00915 5/20 0.46
MAPT P10636 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41

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 SCHEMBL28895715 1.00 CA2 (0.54) CA2MAPK1ACE2CA1MAPT
Bicarbonate SCHEMBL216624 1.00 CA2 (0.54) CA2MAPK1ACE2CA1MAPT
Bicarbonate SCHEMBL28584877 1.00 CA2 (0.54) CA2MAPK1ACE2CA1MAPT
Bicarbonate SCHEMBL9230330 0.98 CA2 (0.52) CA2MAPK1ACE2CA1MAPT
Bicarbonate SCHEMBL973799 0.98 CA2 (0.52) CA2MAPK1ACE2CA1MAPT
Acetic Acid SCHEMBL4207526 0.93 CA2 (0.52) CA2MAPK1ACE2CA1MAPT
Propionic Acid SCHEMBL28527697 0.91 CA2 (0.50) CA2MAPK1ACE2CA1MAPT
Acetic Acid SCHEMBL9623423 0.91 ACE2 (0.53) CA2MAPK1ACE2CA1MAPT
Acetic Acid SCHEMBL7095795 0.91 CA2 (0.50) CA2MAPK1ACE2CA1MAPT
Bicarbonate SCHEMBL18274643 0.91 ACE2 (0.64) CA2ACE2CA1MAPTGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325423-B1 NOVEL SHRINKAGE REDUCER FOR MINERAL BINDING AGENTS EVONIK OPERATIONS GMBH (DE) 2020-02-19 EP claimed
EP-3325423-A1 NOVEL SHRINKAGE-REDUCING AGENTS FOR MINERAL BINDERS Evonik Degussa GmbH (DE) 2018-05-30 EP claimed
EP-1668053-B1 AUXILIARY LIQUID RHEOLOGICAL MEDIUM, METHOD FOR THE PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2007-06-13 EP claimed
EP-1668053-A1 AUXILIARY LIQUID RHEOLOGICAL MEDIUM, METHOD FOR THE PRODUCTION AND USE THEREOF BASF Coatings AG (DE) 2006-06-14 EP claimed
WO-2005033166-A1 AUXILIARY LIQUID RHEOLOGICAL MEDIUM, METHOD FOR THE PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2005-04-14 WO claimed
EP-0677548-A1 Rubber composition Semperit Reifen Aktiengesellschaft (AT) 1995-10-18 EP claimed
EP-3228649-B1 TREATMENT OF ALKOXYLATION PRODUCTS OBTAINED BY ALKALINE CATALYSIS EVONIK OPERATIONS GMBH (DE) 2020-07-15 EP disclosed
EP-3325423-B1 NOVEL SHRINKAGE REDUCER FOR MINERAL BINDING AGENTS EVONIK OPERATIONS GMBH (DE) 2020-02-19 EP disclosed
EP-3266834-B1 UNIVERSAL PIGMENT PREPARATION EVONIK DEGUSSA GMBH (DE) 2019-02-20 EP disclosed
EP-3325423-A1 NOVEL SHRINKAGE-REDUCING AGENTS FOR MINERAL BINDERS Evonik Degussa GmbH (DE) 2018-05-30 EP disclosed
EP-3266834-A1 UNIVERSAL PIGMENT PREPARATION Evonik Degussa GmbH (DE) 2018-01-10 EP disclosed
WO-2017174272-A1 PROCESSING BASE-CATALYSED ALKOXYLATION PRODUCTS EVONIK DEGUSSA GMBH (DE) 2017-10-12 WO disclosed
EP-3228649-A1 TREATMENT OF ALKOXYLATION PRODUCTS OBTAINED BY ALKALINE CATALYSIS Evonik Degussa GmbH (DE) 2017-10-11 EP disclosed
EP-0050784-B1 POLYURETHANES CONTAINING ECTOPARASECTICIDES BAYER AG (DE) 1985-04-03 EP disclosed
EP-0050782-B1 PET COLLARS CONTAINING ECTOPARASITICIDES BAYER AG (DE) 1985-04-03 EP disclosed
EP-0132714-A2 Process for the preparation of quinolines BASF Aktiengesellschaft (DE) 1985-02-13 EP disclosed
EP-0047419-B1 PROCESS FOR THE PRODUCTION OF LIQUID MIXTURES OF COMPOUNDS HAVING ISOCYANATE GROUPS, AND THEIR USE AS COMPONENTS IN THE PRODUCTION OF POLYURETHANE PLASTICS MATERIAL BAYER AG (DE) 1984-04-18 EP disclosed
EP-0022999-B1 CORROSION INHIBITING COMPOSITION FOR ALUMINIUM AND ALUMINIUM ALLOYS HOECHST AKTIENGESELLSCHAFT (DE) 1983-03-23 EP disclosed
EP-0047419-A1 Process for the production of liquid mixtures of compounds having isocyanate groups, and their use as components in the production of polyurethane plastics material BAYER AG (DE) 1982-03-17 EP disclosed
EP-0022999-A1 Corrosion inhibiting composition for aluminium and aluminium alloys HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-28 EP disclosed