Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.33 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.33 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.33 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.33 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.33 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.33 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.33 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL21767982 | 0.79 | KCNH2 (0.61) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL998632 | 0.78 | KCNH2 (0.62) | KCNH2CYP3A4 | |
| SCHEMBL997741 | 0.77 | KCNH2 (0.66) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL1050385 | 0.76 | KCNH2 (0.55) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL1048093 | 0.74 | KCNH2 (0.70) | KCNH2CYP3A4 | |
| SCHEMBL1048859 | 0.73 | KCNH2 (0.68) | KCNH2CYP3A4 | |
| SCHEMBL997860 | 0.72 | KCNH2 (0.58) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL999239 | 0.72 | KCNH2 (0.58) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL1047289 | 0.71 | KCNH2 (0.47) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL997258 | 0.71 | KCNH2 (0.65) | 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 | claimed |
| WO-2011006143-A2 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | IRM LLC (BM) | 2011-01-13 | — | — | WO | claimed |