Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.36 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.36 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9121589 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL9119273 | 0.85 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL9119197 | 0.75 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL9119129 | 0.75 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL9045971 | 0.75 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL8341941 | 0.74 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL9044673 | 0.74 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL9120293 | 0.73 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL9122089 | 0.73 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 | |
| SCHEMBL9117376 | 0.72 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP2B6CYP3A5 |
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-5389663-A | Fungicides | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-02-14 | — | — | US | disclosed |
| EP-0510700-A2 | Azole compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-10-28 | — | — | EP | disclosed |