Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.34 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8554388 | 0.91 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8554382 | 0.91 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8553580 | 0.89 | CYP3A4 (0.35) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8553576 | 0.89 | CYP3A4 (0.35) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8553352 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8554450 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8554446 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9172333 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9416637 | 0.81 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9416640 | 0.81 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0617031-B1 | Orally active azole derivates | URIACH & CIA SA J (ES) | 1998-09-16 | — | — | EP | disclosed |
| US-5646294-A | FUNGICIDES | J. URIACH & CIA. S.A. (ES) | 1997-07-08 | — | — | US | disclosed |
| US-5478826-A | Fungicides for human, animal and plants | J. URIACH & CIA. S.A. (ES) | 1995-12-26 | — | — | US | disclosed |
| EP-0617031-A1 | Orally active azole derivates | J. URIACH & CIA. S.A. (ES) | 1994-09-28 | — | — | EP | disclosed |