Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 8/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.81 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.81 |
| ▸ | FDPS | P14324 | 2/20 | 0.46 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11806774 | 0.89 | CYP1A2 (1.00) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL4198566 | 0.85 | KCNA5 (0.73) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL19994154 | 0.83 | KCNA5 (0.71) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL912792 | 0.80 | CYP2C9 (0.67) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10896574 | 0.79 | CYP2C9 (0.66) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL11631869 | 0.79 | KCNA5 (0.65) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| Phosphine SCHEMBL11171774 | 0.78 | CYP2C9 (0.64) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10463491 | 0.77 | KCNA5 (0.60) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9575287 | 0.76 | KCNA5 (0.61) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL913686 | 0.75 | CYP19A1 (0.72) | KCNA5CYP1A2CYP2C9CYP2C19CYP3A4 |
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 |