Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 15/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 15/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.51 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.51 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.48 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL8105672 | 0.94 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718513 | 0.92 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718624 | 0.91 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718383 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718954 | 0.90 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8112734 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718533 | 0.89 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8540421 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8718747 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8721155 | 0.87 | CYP3A4 (0.51) | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0567982-B1 | Azole compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-07-01 | — | — | EP | claimed |
| EP-0567982-A1 | Azole compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1993-11-03 | — | — | EP | claimed |
| EP-0567982-B1 | Azole compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-07-01 | — | — | EP | disclosed |
| US-5466820-A | Fungicides | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-14 | — | — | US | disclosed |
| EP-0659751-A1 | Optically active azole derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-06-28 | — | — | EP | disclosed |
| US-5371101-A | Fungicides | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-06 | — | — | US | disclosed |
| EP-0567982-A1 | Azole compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1993-11-03 | — | — | EP | disclosed |