Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | RORC | P51449 | 13/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3813461 | 0.83 | CYP19A1 (0.45) | CYP19A1RORC | |
| SCHEMBL1377766 | 0.68 | CYP19A1 (0.49) | CYP19A1KCNA5 | |
| SCHEMBL3819616 | 0.68 | KMO (0.39) | CYP19A1KCNA5KIF11 | |
| SCHEMBL4191094 | 0.68 | CYP19A1 (0.52) | CYP19A1RORCKIF11 | |
| SCHEMBL1381592 | 0.67 | CYP19A1 (0.41) | CYP19A1 | |
| SCHEMBL6000000 | 0.67 | CYP19A1 (0.62) | CYP19A1RORC | |
| SCHEMBL5999722 | 0.66 | CYP19A1 (0.57) | CYP19A1RORC | |
| SCHEMBL1380492 | 0.66 | KIF11 (0.35) | CYP19A1KIF11 | |
| SCHEMBL1380977 | 0.65 | CYP3A4 (0.41) | CYP19A1 | |
| SCHEMBL4194326 | 0.65 | CYP19A1 (0.49) | CYP19A1KCNA5 |
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 4 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 |