Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1377766 | 0.87 | CYP19A1 (0.49) | CYP19A1HSP90AA1HSP90AB1PTK2GRM4 | |
| SCHEMBL3819185 | 0.82 | CYP19A1 (0.40) | CYP19A1HSP90AA1HSP90AB1PTK2KIF11 | |
| SCHEMBL1380492 | 0.79 | KIF11 (0.35) | CYP19A1KIF11CYP3A4ADORA2ACYP2D6 | |
| SCHEMBL1378489 | 0.78 | NUDT1 (0.36) | CYP19A1HSP90AA1HSP90AB1PTK2DYRK1A | |
| SCHEMBL1381592 | 0.77 | CYP19A1 (0.41) | CYP19A1HSP90AA1HSP90AB1PTK2GRM4 | |
| SCHEMBL1380777 | 0.73 | HSP90AA1 (0.36) | CYP19A1HSP90AA1HSP90AB1PTK2GRM4 | |
| SCHEMBL1379821 | 0.72 | NUDT1 (0.35) | CYP19A1HSP90AA1HSP90AB1PTK2DYRK1A | |
| SCHEMBL1377180 | 0.68 | CYP19A1 (0.43) | CYP19A1KIF11CYP3A4CYP3A5 | |
| SCHEMBL1378463 | 0.68 | CYP19A1 (0.48) | CYP19A1KIF11KCNA5 | |
| SCHEMBL6000406 | 0.67 | CYP19A1 (0.53) | CYP19A1KIF11CYP3A4CYP3A5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776355-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1776355-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006014877-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |