Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.37 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.37 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7680530 | 0.91 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4681272 | 0.91 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL30018970 | 0.91 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7678574 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7679986 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7684921 | 0.87 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8112842 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7677425 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6832831 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8061167 | 0.81 | CYP3A4 (0.53) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362206-B1 | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-03-26 | — | — | US | disclosed |
| US-6034248-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-07 | — | — | US | disclosed |
| EP-0884311-A2 | Triazole Derivatives and their production | Takeda Chemical Industries, Ltd. (JP) | 1998-12-16 | — | — | EP | disclosed |