Known targets — ChEMBL curated mechanism
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.43 |
| ▸ | PPARG | P37231 | 7/20 | 0.43 |
| ▸ | PPARD | Q03181 | 7/20 | 0.43 |
| ▸ | PPARA | Q07869 | 7/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TLR2 | O60603 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3727931 | 1.00 | AKR1B1 (0.46) | AKR1B1GPR84PPARGPPARDPPARA | |
| Bicarbonate SCHEMBL28612145 | 0.83 | — | — | |
| SCHEMBL45362 | 0.83 | — | — | |
| SCHEMBL12111337 | 0.83 | — | — | |
| SCHEMBL12111341 | 0.83 | — | — | |
| Acetic Acid SCHEMBL7516765 | 0.82 | AKR1B1 (0.48) | AKR1B1GPR84PPARGPPARDPPARA | |
| Acrylic Acid SCHEMBL28455633 | 0.82 | LMNA (0.48) | AKR1B1GPR84PPARGPPARDPPARA | |
| Carbamic Acid SCHEMBL11806720 | 0.80 | AKR1B1 (0.46) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL9670901 | 0.79 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL7732686 | 0.79 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3442964-A1 | NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES | Boehringer Ingelheim International GmbH (DE) | 2019-02-20 | — | — | EP | disclosed |
| EP-3442966-A1 | NOVELN | Boehringer Ingelheim International GmbH (DE) | 2019-02-20 | — | — | EP | disclosed |
| WO-2017178341-A1 | NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |
| WO-2017178343-A1 | NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N-[(PYRIDINYLAMINO)PROPANYL]ARYLCARBOXAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |
| WO-2016012916-A1 | 1,2,3,5-TETRAHYDROIMIDAZO[1,2-C]PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES AND DISORDERS MEDIATED BY LP-PLA2 | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-01-28 | — | — | WO | disclosed |
| WO-2016012917-A1 | 1,2,3,5-TETRAHYDROIMIDAZO[1,2-C]PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES AND DISORDERS MEDIATED BY LP-PLA2 | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-01-28 | — | — | WO | disclosed |
| EP-2699562-A1 | BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY | Astex Therapeutics Limited (GB) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143726-A1 | BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY | ASTEX THERAPEUTICS LIMITED (GB) | 2012-10-26 | — | — | WO | disclosed |
| EP-2509595-A1 | INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION | Respivert Limited (GB) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011070368-A1 | ANTIVIRAL USE OF UREA COMPOUNDS | RESPIVERT LIMITED (GB) | 2011-06-16 | — | — | WO | disclosed |
| WO-2011070369-A1 | INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION | RESPIVERT LIMITED (GB) | 2011-06-16 | — | — | WO | disclosed |
| WO-2006054151-A1 | SYNTHESIS OF 5-BROMO-4-METHYL-PYRIDIN-3-YLMETHYL)-ETHYL-CARBAMIC ACID TERT-BUTYL ESTER | PFIZER INC., (US) | 2006-05-26 | — | — | WO | disclosed |
| EP-1351929-A1 | NITRIC OXIDE SYNTHASE INHIBITOR PHOSPHATE SALT | GLAXO GROUP LIMITED (GB) | 2003-10-15 | — | — | EP | disclosed |
| EP-1296942-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | Novo Nordisk A/S (DK) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002050021-A1 | NITRIC OXIDE SYNTHASE INHIBITOR PHOSPHATE SALT | GLAXO GROUP LIMITED (GB) | 2002-06-27 | — | — | WO | disclosed |
| EP-1204428-A2 | TARGETED LIPID PARTICLES | Celltech R&D Limited (GB) | 2002-05-15 | — | — | EP | disclosed |
| WO-2002000612-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 2002-01-03 | — | — | WO | disclosed |
| WO-2001012154-A2 | TARGETED LIPID PARTICLES | CELLTECH R&D LIMITED (GB) | 2001-02-22 | — | — | WO | disclosed |
| EP-1070047-A2 | LIPIDS | Celltech Chiroscience Limited (GB) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999052858-A2 | LIPIDS | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-10-21 | — | — | WO | disclosed |