Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 5/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
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 | 0.89 | CYP19A1 (0.49) | CYP19A1CYP3A4CYP3A5HSP90AA1HSP90AB1 | |
| SCHEMBL1380210 | 0.81 | KCNA5 (0.40) | CYP3A4 | |
| SCHEMBL1377889 | 0.79 | KCNA5 (0.36) | CYP19A1CYP3A4 | |
| SCHEMBL1380492 | 0.79 | KIF11 (0.35) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL1379821 | 0.79 | NUDT1 (0.35) | CYP19A1CYP3A4HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL3819185 | 0.78 | CYP19A1 (0.40) | CYP19A1CYP3A4CYP3A5HSP90AA1HSP90AB1 | |
| SCHEMBL3819616 | 0.77 | KMO (0.39) | CYP19A1CYP3A4CYP3A5HSP90AA1HSP90AB1 | |
| SCHEMBL3815136 | 0.76 | PPARG (0.38) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL3819751 | 0.76 | CYP1A2 (0.35) | CYP19A1CYP3A4 | |
| SCHEMBL1382631 | 0.75 | CYP1A2 (0.37) | CYP19A1CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4719744-B2 | — | — | 2011-07-06 | — | — | JP | claimed |
| EP-1776355-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | claimed |
| EP-1776355-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-04-25 | — | — | EP | claimed |
| WO-2006014877-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | claimed |
| 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 |