Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | 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 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 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 | |
|---|---|---|---|---|
| SCHEMBL28518856 | 0.87 | AR (0.45) | ARCYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28518928 | 0.80 | AR (0.41) | ARCYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL22406937 | 0.75 | CYP3A4 (0.38) | CYP19A1CYP3A4CYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL19615959 | 0.72 | CYP3A4 (0.47) | ARCYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29427653 | 0.72 | CYP3A4 (0.47) | ARCYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15756875 | 0.72 | CYP3A4 (0.44) | ARCYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28516381 | 0.71 | AR (0.41) | ARCYP3A4CYP2C9HSP90AA1LMNA | |
| SCHEMBL1280264 | 0.70 | AR (0.42) | ARCYP3A4CYP2C9HSP90AA1LMNA | |
| SCHEMBL14645411 | 0.70 | CYP3A4 (0.47) | ARCYP19A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15821868 | 0.70 | CYP3A4 (0.47) | ARCYP19A1CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112047895-B | Triazole compound, and preparation method and application thereof | 东莞市东阳光农药研发有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-112047895-A | Triazole compound and preparation method and application thereof | 东莞市东阳光农药研发有限公司 | 2020-12-08 | — | — | CN | disclosed |