Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL13327495 | 0.93 | KCNH2 (0.49) | KCNH2CYP3A4CYP2C9CYP2C19EGFR | |
| SCHEMBL15787056 | 0.91 | KCNH2 (0.55) | KCNH2CYP3A4CYP2C9CYP2C19EGFR | |
| SCHEMBL15787055 | 0.91 | KCNH2 (0.55) | KCNH2CYP3A4CYP2C9CYP2C19EGFR | |
| SCHEMBL21903362 | 0.86 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21975806 | 0.86 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21903365 | 0.86 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21976598 | 0.86 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21903363 | 0.86 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21903367 | 0.86 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20620724 | 0.83 | KCNH2 (0.65) | KCNH2CYP3A4CYP2C9CYP2C19EGFR |
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-1514871-B1 | Dispiro 1,2,4 - trioxolane antimalarials | MEDICINES FOR MALARIA VENTURE MMV (CH) | 2015-10-21 | — | — | EP | disclosed |