Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7686461 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7684144 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7677425 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7679956 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7683708 | 0.77 | CYP3A4 (0.59) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7684063 | 0.74 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14527012 | 0.74 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8106906 | 0.74 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8105389 | 0.74 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7680135 | 0.74 | CYP1A2 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |