Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 13/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.49 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.49 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7680053 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7683153 | 0.90 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7687696 | 0.90 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7682370 | 0.89 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL14527011 | 0.89 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8721153 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7687428 | 0.88 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL7679968 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4907698 | 0.88 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4907697 | 0.88 | CYP3A4 (0.58) | 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 2 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 |