Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3809308 | 0.81 | CYP19A1 (0.38) | CYP19A1GPR55CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1377502 | 0.81 | KCNH3 (0.39) | CYP19A1GPR55CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1381538 | 0.77 | GRM2 (0.39) | CYP19A1CYP3A4 | |
| SCHEMBL3810171 | 0.77 | CYP1A2 (0.41) | GPR55CYP1A2PTGER2ADORA2AADORA2B | |
| SCHEMBL1378598 | 0.77 | KCNA5 (0.51) | GPR55CYP1A2CYP3A4KCNA5PTGER2 | |
| SCHEMBL1378413 | 0.76 | CYP3A4 (0.54) | CYP19A1GPR55CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1377359 | 0.74 | NR3C2 (0.40) | CYP19A1GPR55PTGER2 | |
| SCHEMBL1378197 | 0.72 | CYP1A2 (0.42) | CYP19A1GPR55CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1379275 | 0.71 | PTGER2 (0.38) | GPR55PTGER2 | |
| SCHEMBL3811774 | 0.71 | KCNA5 (0.45) | GPR55CYP1A2CYP3A4KCNA5PTGER2 |
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 |