Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL1378197 | 0.88 | CYP1A2 (0.42) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL3819228 | 0.86 | CYP1A2 (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL10461563 | 0.83 | CYP3A4 (0.73) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL4200425 | 0.81 | CYP19A1 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL1379315 | 0.80 | GPR55 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL3810301 | 0.78 | GPR55 (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL1380983 | 0.78 | GPR55 (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL1377502 | 0.76 | KCNH3 (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL3809308 | 0.76 | CYP19A1 (0.38) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL1380951 | 0.76 | CYP19A1 (0.36) | CYP3A4CYP1A2CYP2C9CYP2C19HIF1A |
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 |