Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8718644 | 1.00 | CYP3A4 (0.43) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL7682084 | 0.96 | CYP3A4 (0.41) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL8718869 | 0.96 | CYP3A4 (0.48) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL9125310 | 0.96 | CYP3A4 (0.48) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL7682086 | 0.96 | CYP3A4 (0.41) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL8718843 | 0.93 | CYP3A4 (0.45) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL8718845 | 0.93 | CYP3A4 (0.45) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL8721261 | 0.91 | CYP3A4 (0.44) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL8721265 | 0.91 | CYP3A4 (0.44) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL8721192 | 0.88 | CYP3A4 (0.42) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 |
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 4 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 | disclosed |
| US-5466820-A | Fungicides | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-14 | — | — | US | 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 |