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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 4/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.31 |
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 SCHEMBL11119970 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TRPA1MAPK1CA1CA2 | |
| Acetic Acid SCHEMBL28119339 | 0.88 | FFAR3 (0.54) | ALDH1A1TRPA1MAPK1CA1FFAR3 | |
| Acetic Acid SCHEMBL27935566 | 0.88 | FFAR3 (0.54) | ALDH1A1TRPA1MAPK1CA1FFAR3 | |
| Acetic Acid SCHEMBL27935565 | 0.88 | FFAR3 (0.54) | ALDH1A1TRPA1MAPK1CA1FFAR3 | |
| Sorbic Acid SCHEMBL19555674 | 0.84 | TSHR (0.44) | ALDH1A1TRPA1MAPK1CNR2TSHR | |
| Sorbic Acid SCHEMBL19555673 | 0.84 | TSHR (0.44) | ALDH1A1TRPA1MAPK1CNR2TSHR | |
| Bicarbonate SCHEMBL194552 | 0.82 | — | — | |
| Bicarbonate SCHEMBL29012214 | 0.82 | — | — | |
| Bicarbonate SCHEMBL3917413 | 0.82 | — | — | |
| Bicarbonate SCHEMBL16673755 | 0.82 | CA1 (0.50) | ALDH1A1TRPA1MAPK1CA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6627762-B1 | Curable | Henkel IP & Holding GmbH (DE) | 2003-09-30 | — | — | US | claimed |
| US-6627762-B1 | Curable | Henkel IP & Holding GmbH (DE) | 2003-09-30 | — | — | US | disclosed |
| WO-1998007678-A1 | PROCESS FOR EXTRACTING DICARBOXYLIC ACIDS FROM AQUEOUS SOLUTIONS | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-26 | — | — | WO | disclosed |
| EP-0075234-B1 | ACYLOXYALKADIENECARBOXYLIC-ACID ESTERS AND PROCESS FOR THEIR PREPARATION | BASF Aktiengesellschaft (DE) | 1984-09-12 | — | — | EP | disclosed |
| EP-0075234-A2 | Acyloxyalkadienecarboxylic-acid esters and process for their preparation | BASF Aktiengesellschaft (DE) | 1983-03-30 | — | — | EP | disclosed |
| EP-0024309-A2 | Triazolopyridazine derivatives, process and intermediates for their preparation and medicaments containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-03-04 | — | — | EP | disclosed |