Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 2/20 | 0.35 |
| ▸ | MC3R | P41968 | 1/20 | 0.35 |
| ▸ | MC1R | Q01726 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9005072 | 0.91 | KMT2A (0.41) | KMT2ACYP3A4MC3RCYP2C9CYP2C19 | |
| SCHEMBL9005114 | 0.81 | CYP3A4 (0.34) | KMT2ACYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9005045 | 0.81 | KMT2A (0.49) | KMT2ACYP3A4ALDH1A1MAPTHTT | |
| SCHEMBL9005065 | 0.78 | KMT2A (0.42) | KMT2ACYP3A4ALDH1A1MC3RCYP2C9 | |
| SCHEMBL9005037 | 0.71 | KMT2A (0.49) | KMT2ACYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9005053 | 0.71 | KMT2A (0.39) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL10434430 | 0.70 | KMT2A (0.48) | KMT2ACYP3A4ALDH1A1MAPTHTT | |
| SCHEMBL9004935 | 0.69 | CYP3A4 (0.40) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9835984 | 0.69 | KMT2A (0.46) | KMT2ACYP3A4ALDH1A1MAPTHTT | |
| SCHEMBL9844009 | 0.68 | KMT2A (0.48) | KMT2ACYP3A4ALDH1A1MAPTHTT |
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 |