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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10596770 | 0.85 | FFAR3 (0.40) | FFAR3MAPK1NFKB1CYP2C19RAB9A | |
| Bicarbonate SCHEMBL28958869 | 0.84 | FFAR3 (0.35) | FFAR3MAPK1NFKB1CYP2C19RAB9A | |
| SCHEMBL4633004 | 0.83 | FFAR3 (0.37) | FFAR3LMNASMN1; SMN2NPSR1APLNR | |
| Bicarbonate SCHEMBL9842531 | 0.82 | CYP2C19 (0.41) | FFAR3CA1CA2CA9MAPK1 | |
| Bicarbonate SCHEMBL10607931 | 0.82 | FFAR3 (0.38) | FFAR3CA1CA2CA9MAPK1 | |
| SCHEMBL32681964 | 0.79 | FFAR3 (0.43) | FFAR3MAPK1NFKB1CYP2C19RAB9A | |
| SCHEMBL10710423 | 0.77 | — | — | |
| SCHEMBL453523 | 0.76 | — | — | |
| Bicarbonate SCHEMBL2900014 | 0.75 | — | — | |
| SCHEMBL3154132 | 0.74 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1653937-B1 | COMPOUNDS USEFUL FOR TREATING NEUROPATHIC PAIN AND MIGRAINE | YISSUM RES DEV CO (IL) | 2010-01-06 | — | — | EP | claimed |
| EP-1377589-B1 | OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS | PHARMACIA ITALIA SPA (IT) | 2005-09-07 | — | — | EP | claimed |
| EP-0230018-A2 | Pyrethroide, process for their preparation and their use in combatting parasites as well as precursors for the preparation of these pyrethroids | BASF Aktiengesellschaft (DE) | 1987-07-29 | — | — | EP | claimed |
| EP-0058505-B1 | PREPARATION OF ESTERS CONTAINING AN ALPHA-CYANO GROUP IN THE ALCOHOL PORTION OF THE ESTERS | FMC Corporation (US) | 1985-05-29 | — | — | EP | claimed |
| EP-0037375-B1 | INSECTICIDAL-VAPOURS EMITTING DEVICE | Airwick AG (CH) | 1984-05-23 | — | — | EP | claimed |
| EP-0029515-B1 | FLUORO-SUBSTITUTED 2,2,3,3-TETRAMETHYLCYCLOPROPANE-1-CARBOXYLIC ACID BENZYL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PESTICIDES | BAYER AG (DE) | 1982-12-22 | — | — | EP | claimed |
| EP-0029515-A1 | Fluoro-substituted 2,2,3,3-tetramethylcyclopropane-1-carboxylic acid benzyl esters, process for their preparation and their use in pesticides | BAYER AG (DE) | 1981-06-03 | — | — | EP | claimed |
| EP-1603891-B1 | NEW AMIDE DERIVATIVES OF 2,2,3,3-TETRAMETHYLCYCLOPROPANE CARBOXYLIC ACID | YISSUM RES DEV CO (IL) | 2008-05-28 | — | — | EP | disclosed |
| EP-1603891-A1 | NEW AMIDE DERIVATIVES OF 2,2,3,3-TETRAMETHYLCYCLOPROPANE CARBOXYLIC ACID | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2005-12-14 | — | — | EP | disclosed |
| EP-0150678-B1 | ALPHA-METHYL-(6-PHENOXY)-2-PICOLYL ESTER OF CYCLOPROPANECARBOXYLIC ACID | CIBA-GEIGY AG (CH) | 1989-03-01 | — | — | EP | disclosed |
| EP-0206167-B1 | TETRAMETHYLCYCLOPROPANECARBONIC ACID ESTERS | BAYER AG (DE) | 1989-01-04 | — | — | EP | disclosed |
| EP-0230018-A2 | Pyrethroide, process for their preparation and their use in combatting parasites as well as precursors for the preparation of these pyrethroids | BASF Aktiengesellschaft (DE) | 1987-07-29 | — | — | EP | disclosed |
| EP-0230018-A2 | Pyrethroide, process for their preparation and their use in combatting parasites as well as precursors for the preparation of these pyrethroids | BASF Aktiengesellschaft (DE) | 1987-07-29 | — | — | EP | disclosed |
| EP-0206167-A1 | Tetramethylcyclopropanecarbonic acid esters | BAYER AG (DE) | 1986-12-30 | — | — | EP | disclosed |
| EP-0057384-B1 | 4-FLUORO-3-HALOPHENOXY-BENZYL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PESTICIDES, ALSO INTERMEDIATE PRODUCTS AND PROCESS FOR THEIR PREPARATION | BAYER AG (DE) | 1984-07-25 | — | — | EP | disclosed |
| EP-0037375-B1 | INSECTICIDAL-VAPOURS EMITTING DEVICE | Airwick AG (CH) | 1984-05-23 | — | — | EP | disclosed |
| EP-0057384-A2 | 4-Fluoro-3-halophenoxy-benzyl esters, process for their preparation and their use in pesticides, also intermediate products and process for their preparation | BAYER AG (DE) | 1982-08-11 | — | — | EP | disclosed |
| EP-0037375-A1 | Insecticidal-vapours emitting device | Airwick AG (CH) | 1981-10-07 | — | — | EP | disclosed |
| EP-0029515-A1 | Fluoro-substituted 2,2,3,3-tetramethylcyclopropane-1-carboxylic acid benzyl esters, process for their preparation and their use in pesticides | BAYER AG (DE) | 1981-06-03 | — | — | EP | disclosed |