Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 14/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8107262 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C9ABCB11CYP17A1CYP19A1 | |
| SCHEMBL8097530 | 0.89 | CYP3A4 (0.38) | CYP3A4CYP2C9ABCB11CYP17A1CYP19A1 | |
| SCHEMBL8097526 | 0.89 | CYP3A4 (0.38) | CYP3A4CYP2C9ABCB11CYP17A1CYP19A1 | |
| SCHEMBL8105713 | 0.88 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8105706 | 0.88 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8107346 | 0.85 | CYP3A4 (0.35) | CYP3A4CYP2C9ABCB11CYP17A1CYP19A1 | |
| SCHEMBL8111174 | 0.85 | CYP3A4 (0.35) | CYP3A4CYP2C9ABCB11CYP17A1CYP19A1 | |
| SCHEMBL19970517 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2C9ABCB11CYP17A1CYP19A1 | |
| SCHEMBL1456168 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2C9ABCB11CYP17A1CYP19A1 | |
| SCHEMBL19970516 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2C9ABCB11CYP17A1CYP19A1 |
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-1033367-A2 | Process for the preparation of optically active triazole derivatives and their imidazolidin-2-one intermediates | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-09-06 | — | — | EP | disclosed |
| US-5677464-A | Production of optically active triazole compounds and their intermediates | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| EP-0687672-A2 | Production of optically active triazole compounds and their intermediates | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-12-20 | — | — | EP | disclosed |