Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 13/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 13/20 | 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 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943181 | 0.87 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL6938968 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL6941130 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL6940815 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL6943243 | 0.82 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL13301063 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL3331404 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL13301072 | 0.82 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL3333274 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL13301060 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 |
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-2167490-A1 | TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Korea Research Institute Of Chemical Technology (KR) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008153325-A1 | TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-12-18 | — | — | WO | disclosed |