Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL9275654 | 0.88 | CYP3A4 (0.43) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9203186 | 0.88 | CYP3A4 (0.43) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9194976 | 0.88 | CYP3A4 (0.43) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9005028 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8813231 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8813224 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL20621487 | 0.86 | GAA (0.50) | CYP3A4CYP19A1HSP90AA1NPSR1KMT2A | |
| SCHEMBL9737756 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9843845 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9195224 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP19A1CYP2C9CYP2C19CYP1A2 |
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 13 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 | claimed |
| EP-1083175-B1 | Triazole derivatives having antifungal activity | SANKYO CO (JP) | 2003-07-02 | — | — | EP | disclosed |
| US-6392082-B1 | CHEMICAL INTERMEDIATE | SANKYO COMPANY, LIMITED (JP) | 2002-05-21 | — | — | US | disclosed |
| US-6391903-B1 | THERAPY FOR FUNGI INFECTIONS | SANKYO COMPANY, LIMITED (JP) | 2002-05-21 | — | — | US | disclosed |
| US-6337403-B1 | CRYSTALLINE FORM OF A PHARMACEUTICAL COMPOSITION CONTAINING SAID DERIVATIVES WITH TREATING AND PREVENTING FUNGAL INFECTIONS USING BUTADIENE FLUORO BENZONITRILE GROUPS | SANKYO COMPANY, LIMITED (JP) | 2002-01-08 | — | — | US | disclosed |
| EP-1083175-A2 | Triazole derivatives having antifungal activity | Sankyo Company Limited (JP) | 2001-03-14 | — | — | EP | disclosed |
| US-5792780-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-08-11 | — | — | US | disclosed |
| US-5545652-A | Triazole and imidazole compounds and their use as antifungal therapeutic agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-13 | — | — | US | disclosed |
| US-5495024-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| EP-0659751-A1 | Optically active azole derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-06-28 | — | — | EP | disclosed |
| EP-0657449-A1 | Azole compounds, their production and use as antifungal agents | Takeda Chemical Industries, Ltd. (JP) | 1995-06-14 | — | — | EP | 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 |