Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3810699 | 0.88 | ALDH1A1 (0.41) | CYP3A4CYP11B2CYP11B1HSP90AA1HSP90AB1 | |
| SCHEMBL1378654 | 0.74 | CYP3A4 (0.39) | CYP3A4CYP3A5CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL3814534 | 0.72 | CYP3A4 (0.40) | CYP3A4CYP3A5CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL1378899 | 0.72 | TLR7 (0.39) | CYP3A4CYP11B2CYP11B1CYP19A1CYP1A2 | |
| SCHEMBL1380977 | 0.70 | CYP3A4 (0.41) | CYP3A4CYP3A5CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL3814300 | 0.70 | CHRNB2 (0.39) | CYP3A4CYP3A5CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL1379821 | 0.67 | NUDT1 (0.35) | CYP3A4HSP90AA1HSP90AB1PTK2GRM4 | |
| SCHEMBL2354106 | 0.66 | CYP3A4 (0.67) | CYP3A4CYP3A5CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL1380498 | 0.66 | CYP3A4 (0.49) | CYP3A4CYP3A5CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL1376718 | 0.66 | CYP3A4 (0.46) | CYP3A4CYP3A5CYP11B2CYP11B1CYP19A1 |
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 |