Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.38 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9005061 | 0.89 | KMT2A (0.50) | KMT2ACYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9792792 | 0.87 | KMT2A (0.55) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9005045 | 0.86 | KMT2A (0.49) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9004944 | 0.83 | KMT2A (0.51) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9005027 | 0.81 | KMT2A (0.54) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9736893 | 0.81 | KMT2A (0.56) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9736887 | 0.81 | KMT2A (0.56) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL10599395 | 0.81 | KMT2A (0.59) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL10599398 | 0.81 | KMT2A (0.59) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9004930 | 0.81 | KMT2A (0.59) | KMT2ACYP3A4ALDH1A1CYP2C9CYP2C19 |
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 2 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 | disclosed |
| EP-0548553-A1 | Optically active azole compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1993-06-30 | — | — | EP | disclosed |