Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.65 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.65 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.65 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.65 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.65 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.45 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.45 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9692441 | 0.92 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL9122306 | 0.92 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Hydrochloric Acid SCHEMBL9121242 | 0.92 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL9121844 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL9690660 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL9119480 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL9122322 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL9121133 | 0.81 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL29360276 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL3151 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 |
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 |