Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | FPR2 | P25090 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7544559 | 0.98 | PAOX (0.37) | PAOXALDH1A1LMNACES1NCEH1 | |
| SCHEMBL10989094 | 0.95 | ALDH1A1 (0.33) | PAOXALDH1A1LMNAACHE | |
| SCHEMBL10988611 | 0.87 | ALDH1A1 (0.38) | ALDH1A1LMNA | |
| SCHEMBL5536332 | 0.84 | TBXAS1 (0.42) | LMNAPPARA | |
| SCHEMBL8464935 | 0.83 | TBXAS1 (0.45) | LMNAPPARA | |
| SCHEMBL5537212 | 0.83 | TBXAS1 (0.45) | LMNAPPARA | |
| SCHEMBL5534335 | 0.83 | TBXAS1 (0.45) | LMNAPPARA | |
| SCHEMBL8467504 | 0.83 | TBXAS1 (0.35) | CES1NCEH1 | |
| SCHEMBL15795464 | 0.83 | ALDH1A1 (0.34) | ALDH1A1CES1NCEH1HDAC1 | |
| SCHEMBL25754861 | 0.81 | TBXAS1 (0.40) | HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111434654-B | Triazole hexanone biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学 | 2023-06-09 | — | — | CN | claimed |
| CN-111434654-B | Triazole hexanone biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-111434654-B | Triazole hexanone biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-114560816-A | Triazole biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学华西医院 | 2022-05-31 | — | — | CN | disclosed |