Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8813231 | 1.00 | CYP3A4 (0.46) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL8813224 | 1.00 | CYP3A4 (0.46) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL9741267 | 0.88 | CYP3A4 (0.44) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL9735464 | 0.88 | CYP3A4 (0.44) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL9198999 | 0.88 | CYP3A4 (0.44) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL9843779 | 0.88 | CYP3A4 (0.44) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL9199001 | 0.88 | CYP3A4 (0.44) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL9199815 | 0.88 | CYP3A4 (0.44) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL9736709 | 0.88 | CYP3A4 (0.44) | CYP3A4THRBHTTKDM4EPOLB | |
| SCHEMBL6946056 | 0.87 | CYP3A4 (0.43) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5495024-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| US-5371100-A | An 1-(1H-1,2,4-triazolyl) or 1-(1H-imidazolyl)-2-phenyl-3-(1H or 2H-tetrazolyl)-2-alkylol or alkyloxyacetyl fungicides for fungal infections | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-06 | — | — | US | disclosed |
| EP-0548553-A1 | Optically active azole compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1993-06-30 | — | — | EP | disclosed |