Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.34 |
| ▸ | CYP21A2 | P08686 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 5/20 | 0.33 |
| ▸ | CCR2 | P41597 | 5/20 | 0.33 |
| ▸ | CCR4 | P51679 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | CYP7A1 | P22680 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL21784834 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2C9THRBCYP17A1CYP21A2 | |
| Bromuconazole SCHEMBL22340 | 0.80 | CYP3A4 (1.00) | CYP3A4CYP2C9THRBLMNATSHR | |
| Bromuconazole SCHEMBL3682832 | 0.80 | CYP3A4 (1.00) | CYP3A4CYP2C9THRBLMNATSHR | |
| Bromuconazole SCHEMBL29360340 | 0.80 | CYP3A4 (1.00) | CYP3A4CYP2C9THRBLMNATSHR | |
| SCHEMBL10574886 | 0.76 | CYP3A4 (0.39) | CYP3A4CYP2C9THRBUSP2ALDH1A1 | |
| Bromuconazole SCHEMBL1613562 | 0.76 | CYP3A4 (0.89) | CYP3A4CYP2C9THRBLMNATSHR | |
| SCHEMBL4191977 | 0.76 | CYP3A4 (0.43) | CYP3A4CYP2C9THRBCYP17A1CYP21A2 | |
| Bromuconazole SCHEMBL28333287 | 0.75 | CYP3A4 (0.87) | CYP3A4CYP2C9THRBCYP17A1CYP21A2 | |
| SCHEMBL1279483 | 0.74 | CYP3A4 (0.65) | CYP3A4CYP2C9THRBCYP17A1CYP21A2 | |
| SCHEMBL9362816 | 0.74 | CYP3A4 (0.38) | CYP3A4CYP2C9THRBCYP17A1CYP21A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0433194-A1 | Fungicide composition with synergistic effect based on one morpholine and one triazole | RHONE-POULENC AGROCHIMIE (FR) | 1991-06-19 | — | — | EP | disclosed |