Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4336663 | 0.85 | KCNA5 (1.00) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10461563 | 0.84 | CYP3A4 (0.73) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7439189 | 0.76 | USP2 (0.58) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10513051 | 0.76 | CNR1 (0.45) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11806774 | 0.75 | CYP1A2 (1.00) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16432743 | 0.74 | KCNA5 (0.42) | KCNA5CYP1A2CYP3A4GAA | |
| SCHEMBL29226475 | 0.73 | CYP19A1 (0.51) | KCNA5CYP1A2CYP3A4CYP19A1GPR55 | |
| SCHEMBL29226478 | 0.73 | CYP19A1 (0.51) | KCNA5CYP1A2CYP3A4CYP19A1GPR55 | |
| SCHEMBL30927967 | 0.73 | CYP19A1 (0.51) | KCNA5CYP1A2CYP3A4CYP19A1GPR55 | |
| SCHEMBL1378413 | 0.73 | CYP3A4 (0.54) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 |
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-1781635-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-02-25 | — | — | EP | disclosed |
| EP-1781635-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006015159-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |