Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.52 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7213977 | 1.00 | CYP3A4 (0.59) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7207838 | 0.91 | CYP3A4 (0.56) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7212702 | 0.91 | CYP3A4 (0.57) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7207664 | 0.91 | CYP3A4 (0.57) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7207695 | 0.89 | CYP3A4 (0.59) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7803689 | 0.88 | CYP3A4 (0.53) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7208403 | 0.88 | CYP3A4 (0.76) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7209011 | 0.86 | CYP3A4 (0.57) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7209019 | 0.86 | CYP3A4 (0.61) | CYP3A4KCNH2CYP2C9CYP2C19LMNA | |
| SCHEMBL7800022 | 0.86 | CYP3A4 (0.58) | CYP3A4KCNH2CYP2C9CYP2C19LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286988-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | Basilea Pharmaceutica AG (CH) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001079196-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2001-10-25 | — | — | WO | disclosed |