Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL998582 | 0.86 | KCNH2 (0.44) | KCNH2CYP3A4ALOX5 | |
| SCHEMBL21767982 | 0.80 | KCNH2 (0.61) | KCNH2CYP3A4 | |
| SCHEMBL997806 | 0.80 | KCNH2 (0.67) | KCNH2CYP3A4 | |
| SCHEMBL1000969 | 0.74 | KCNH2 (0.54) | KCNH2CYP3A4 | |
| SCHEMBL12952016 | 0.66 | KCNH2 (0.56) | KCNH2CYP3A4ALOX5 | |
| SCHEMBL998581 | 0.65 | KCNH2 (0.73) | KCNH2CYP3A4ALOX5 | |
| SCHEMBL1049778 | 0.65 | KCNH2 (0.73) | KCNH2CYP3A4ALOX5 | |
| SCHEMBL1051312 | 0.64 | KCNH2 (0.72) | KCNH2CYP3A4ALOX5 | |
| SCHEMBL1046633 | 0.64 | KCNH2 (0.72) | KCNH2CYP3A4ALOX5 | |
| SCHEMBL20121532 | 0.64 | KCNH2 (0.67) | KCNH2CYP3A4 |
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-2451814-A2 | FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA | IRM LLC (BM) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011006143-A2 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | IRM LLC (BM) | 2011-01-13 | — | — | WO | disclosed |