Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.30 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL3819751 | 0.83 | CYP1A2 (0.35) | CYP1A2CYP2D6KCNA5CYP3A4CYP2C9 | |
| SCHEMBL1382631 | 0.81 | CYP1A2 (0.37) | CYP1A2CYP2D6KCNA5CYP3A4CYP2C9 | |
| SCHEMBL3812287 | 0.80 | CYP19A1 (0.33) | CYP1A2KCNA5CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3809308 | 0.77 | CYP19A1 (0.38) | CYP1A2KCNA5CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1377889 | 0.75 | KCNA5 (0.36) | CYP1A2KCNA5CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27170953 | 0.74 | CHRM2 (0.39) | CYP2D6 | |
| SCHEMBL1377228 | 0.73 | CYP1A2 (0.43) | CYP1A2 | |
| SCHEMBL1380210 | 0.72 | KCNA5 (0.40) | CYP1A2KCNA5CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1378529 | 0.71 | APP (0.37) | CYP3A4 | |
| SCHEMBL3814300 | 0.69 | CHRNB2 (0.39) | CYP1A2KCNA5CYP3A4CYP2C9CYP2C19 |
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 |