Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1106522 | 0.71 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL22108984 | 0.68 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL9963202 | 0.68 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL14733934 | 0.68 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL20083791 | 0.67 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL24999045 | 0.67 | GPR84 (0.39) | CYP3A4CYP2C9CYP2C19PDE3BPDE3A | |
| SCHEMBL23921792 | 0.67 | GPR84 (0.39) | CYP3A4CYP2C9CYP2C19PDE3BPDE3A | |
| SCHEMBL312788 | 0.65 | CYP17A1 (0.38) | CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL11983398 | 0.65 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL1727253 | 0.65 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 |
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-118406037-B | Triazole derivative and preparation method and application thereof | 四川师范大学 | 2025-02-25 | — | — | CN | disclosed |
| CN-118406037-A | Triazole derivative and preparation method and application thereof | 四川师范大学 | 2024-07-30 | — | — | CN | disclosed |