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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 17/20 | 0.48 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5749485 | 1.00 | KCNH2 (0.48) | KCNH2KCNQ1CACNA1C | |
| SCHEMBL5740447 | 0.84 | KCNH2 (0.49) | KCNH2 | |
| SCHEMBL5739490 | 0.84 | KCNH2 (0.49) | KCNH2 | |
| Bicarbonate SCHEMBL5738348 | 0.80 | KCNH2 (0.40) | KCNH2 | |
| Bicarbonate SCHEMBL5738279 | 0.80 | KCNH2 (0.40) | KCNH2 | |
| Bicarbonate SCHEMBL4045503 | 0.80 | KCNH2 (0.47) | KCNH2 | |
| Bicarbonate SCHEMBL4054052 | 0.80 | KCNH2 (0.47) | KCNH2 | |
| SCHEMBL17956688 | 0.79 | KCNH2 (0.45) | KCNH2 | |
| SCHEMBL5262019 | 0.78 | KCNH2 (0.54) | KCNH2KCNQ1CACNA1C | |
| SCHEMBL5262012 | 0.78 | KCNH2 (0.54) | KCNH2KCNQ1CACNA1C |
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-1539133-B1 | AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY | GLAXO GROUP LTD (GB) | 2006-08-23 | — | — | EP | claimed |