Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
| ▸ | KIT | P10721 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3812287 | 0.87 | CYP19A1 (0.33) | CYP19A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1379821 | 0.87 | NUDT1 (0.35) | CYP19A1CYP3A4 | |
| SCHEMBL1377889 | 0.85 | KCNA5 (0.36) | BACE1CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL1380210 | 0.84 | KCNA5 (0.40) | BACE1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3815536 | 0.84 | BACE1 (0.39) | BACE1MPOADORA2A | |
| SCHEMBL3816707 | 0.84 | PTGS2 (0.32) | CYP19A1CYP3A4 | |
| SCHEMBL4191481 | 0.82 | CYP19A1 (0.37) | CYP19A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1377553 | 0.81 | DYRK3 (0.34) | CYP19A1 | |
| SCHEMBL1382631 | 0.81 | CYP1A2 (0.37) | BACE1CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL1379427 | 0.80 | NPSR1 (0.47) | ADORA2AADORA3KIT |
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-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 |