Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.34 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9004885 | 0.91 | KMT2A (0.41) | KMT2ACYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9005065 | 0.88 | KMT2A (0.42) | KMT2ACYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9005114 | 0.85 | CYP3A4 (0.34) | KMT2ACYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9005037 | 0.81 | KMT2A (0.49) | KMT2ACYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9005053 | 0.73 | KMT2A (0.39) | KMT2ACYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9004913 | 0.72 | CYP3A4 (0.60) | CYP19A1CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL9005045 | 0.71 | KMT2A (0.49) | KMT2ACYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9118154 | 0.70 | CYP3A4 (0.53) | CYP19A1CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL9005102 | 0.69 | CYP3A4 (0.45) | KMT2ACYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9119208 | 0.69 | CYP3A4 (0.53) | CYP19A1CYP3A4CYP2C9CYP2C19LMNA |
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 |