Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7097502 | 0.99 | KCNH2 (0.47) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7099514 | 0.99 | KCNH2 (0.47) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6672228 | 0.92 | KCNH2 (0.39) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6688248 | 0.91 | KCNH2 (0.38) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6670735 | 0.90 | KCNH2 (0.38) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6671088 | 0.90 | KCNH2 (0.38) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7094048 | 0.89 | KCNH2 (0.37) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7093078 | 0.89 | KCNH2 (0.38) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7094458 | 0.89 | KCNH2 (0.37) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7093097 | 0.89 | KCNH2 (0.37) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401830-A2 | QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS | Warner-Lambert Company LLC (US) | 2004-03-31 | — | — | EP | claimed |
| WO-2002102793-A2 | QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2002-12-27 | — | — | WO | claimed |