Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 14/20 | 0.61 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.61 |
| ▸ | TYR | P14679 | 1/20 | 0.61 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3645435 | 1.00 | ERN1 (0.61) | ERN1TRIM24TYRTRIM33CYP3A4 | |
| SCHEMBL7285302 | 0.90 | ERN1 (0.62) | ERN1TRIM24TYRTRIM33ALDH1A1 | |
| SCHEMBL28282933 | 0.84 | ERN1 (0.56) | ERN1TRIM24TYRTRIM33ALDH1A1 | |
| SCHEMBL931983 | 0.82 | ERN1 (0.60) | ERN1TRIM24TYRTRIM33ALDH1A1 | |
| SCHEMBL118908 | 0.82 | ERN1 (0.68) | ERN1ALDH1A1 | |
| SCHEMBL4615908 | 0.82 | ERN1 (0.59) | ERN1TRIM24TYRTRIM33CYP3A4 | |
| SCHEMBL13855640 | 0.82 | ERN1 (0.55) | ERN1TRIM24TYRTRIM33CYP3A4 | |
| SCHEMBL12311286 | 0.82 | CYP3A4 (0.63) | ERN1TRIM24TYRTRIM33CYP3A4 | |
| SCHEMBL2597207 | 0.81 | ERN1 (0.58) | ERN1TRIM24TYRTRIM33CYP3A4 | |
| SCHEMBL29048895 | 0.81 | ERN1 (0.58) | ERN1TRIM24TYRTRIM33CYP3A4 |
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-109705078-A | The chemical total synthesis method of escoparone | 西南大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-109705078-A | The chemical total synthesis method of escoparone | 西南大学 | 2019-05-03 | — | — | CN | disclosed |