Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 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 | |
|---|---|---|---|---|
| SCHEMBL4195384 | 0.88 | KCNA5 (0.50) | CYP19A1CYP11B1CYP11B2CYP3A4CYP1A2 | |
| SCHEMBL1378413 | 0.81 | CYP3A4 (0.54) | CYP19A1GPR55CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL16508368 | 0.80 | KCNN4 (0.50) | CYP3A4CYP2C9CYP2C19RAB9A | |
| SCHEMBL28038594 | 0.80 | CYP3A4 (0.44) | CYP19A1CYP3A4CYP2C9CYP2C19USP2 | |
| SCHEMBL4198029 | 0.77 | CYP19A1 (0.41) | CYP19A1CYP11B1CYP11B2GPR55CYP3A4 | |
| SCHEMBL1378197 | 0.76 | CYP1A2 (0.42) | CYP19A1CYP11B1CYP11B2GPR55CYP3A4 | |
| SCHEMBL4193377 | 0.75 | CYP19A1 (0.40) | CYP19A1CYP11B1CYP11B2GPR55CYP3A4 | |
| SCHEMBL30927967 | 0.75 | CYP19A1 (0.51) | CYP19A1CYP11B1CYP11B2GPR55CYP3A4 | |
| SCHEMBL29226478 | 0.75 | CYP19A1 (0.51) | CYP19A1CYP11B1CYP11B2GPR55CYP3A4 | |
| SCHEMBL29226475 | 0.75 | CYP19A1 (0.51) | CYP19A1CYP11B1CYP11B2GPR55CYP3A4 |
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 |