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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
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 SCHEMBL9501836 | 0.84 | BBOX1 (0.39) | TP53BBOX1CA1CA2CA4 | |
| Bicarbonate SCHEMBL9499586 | 0.84 | BBOX1 (0.39) | TP53BBOX1CA1CA2 | |
| Bicarbonate SCHEMBL7572417 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5152359 | 0.73 | — | — | |
| Water SCHEMBL2817747 | 0.73 | — | — | |
| SCHEMBL10382187 | 0.73 | — | — | |
| Bicarbonate SCHEMBL11740655 | 0.73 | TP53 (0.44) | TP53BBOX1CA1CA2 | |
| Isopropyl Alcohol SCHEMBL11098891 | 0.72 | — | — | |
| Acetic Acid SCHEMBL319665 | 0.71 | CA1 (0.50) | BBOX1CA1CA2CA4 | |
| Tetramethylammonium Ion SCHEMBL108420 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0269949-B1 | PROCESS FOR PRODUCING A HIGH PURITY QUATERNARY AMMONIUM HYDROXIDE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1993-04-21 | — | — | EP | claimed |