Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | VNN1 | O95497 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA5 | P30532 | 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 | |
|---|---|---|---|---|
| SCHEMBL1378654 | 0.78 | CYP3A4 (0.39) | CYP3A4CYP3A5CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL1379806 | 0.77 | ALDH1A1 (0.43) | CYP3A4CYP3A5CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL3810699 | 0.77 | ALDH1A1 (0.41) | CYP3A4CYP11B1CYP11B2CYP19A1HRH3 | |
| SCHEMBL1380977 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP3A5CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL3814300 | 0.76 | CHRNB2 (0.39) | CYP3A4CYP3A5CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL4197297 | 0.75 | KCNA5 (0.42) | CYP11B1CYP11B2CYP19A1HRH3ALDH1A1 | |
| SCHEMBL171388 | 0.75 | HRH3 (0.57) | CYP3A4CYP11B1CYP11B2CYP19A1HRH3 | |
| SCHEMBL29442890 | 0.75 | HRH3 (0.57) | CYP3A4CYP11B1CYP11B2CYP19A1HRH3 | |
| SCHEMBL3814534 | 0.72 | CYP3A4 (0.40) | CYP3A4CYP3A5CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL1379594 | 0.72 | CYP3A4 (0.38) | CYP3A4CYP11B1CYP11B2CYP19A1HRH3 |
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 |