Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 13/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.62 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.62 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.62 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.62 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.60 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL9004892 | 0.88 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL9005099 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL9005018 | 0.86 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL9004913 | 0.86 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL9004924 | 0.85 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL9005062 | 0.85 | KMT2A (0.51) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL25712197 | 0.85 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL9792807 | 0.85 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL9004899 | 0.84 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL13106129 | 0.84 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-0548553-A1 | Optically active azole compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1993-06-30 | — | — | EP | claimed |
| 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 |