Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.44 |
| ▸ | PRKCA | P17252 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Eurostoside SCHEMBL29425819 | 0.82 | L3MBTL1 (0.62) | L3MBTL1CYP3A4KDM4EGLAALDH1A1 | |
| Picroside I SCHEMBL14361938 | 0.79 | HSP90AA1 (0.64) | CYP3A4KDM4EGLAALDH1A1TSHR | |
| Picroside I SCHEMBL29362839 | 0.79 | HSP90AA1 (0.64) | CYP3A4KDM4EGLAALDH1A1TSHR | |
| Aucubin SCHEMBL22680274 | 0.78 | L3MBTL1 (1.00) | L3MBTL1ELANEHSP90AA1XDH | |
| Aucubin SCHEMBL22680275 | 0.78 | L3MBTL1 (1.00) | L3MBTL1ELANEHSP90AA1XDH | |
| Aucubin SCHEMBL381032 | 0.78 | L3MBTL1 (1.00) | L3MBTL1ELANEHSP90AA1XDH | |
| SCHEMBL30561993 | 0.76 | HSP90AA1 (0.62) | L3MBTL1CYP3A4KDM4EGLAALDH1A1 | |
| SCHEMBL7153129 | 0.75 | L3MBTL1 (0.67) | L3MBTL1HSP90AA1CA12XDH | |
| SCHEMBL29425984 | 0.75 | L3MBTL1 (0.54) | L3MBTL1ELANEHSP90AA1PRKCACA12 | |
| SCHEMBL29425942 | 0.74 | HSP90AA1 (0.62) | CYP3A4KDM4EGLAALDH1A1TSHR |
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-115942959-A | Pharmaceutical composition for improving respiratory system injury and application of pharmaceutical composition for improving respiratory system injury | 洪铭谦 | 2023-04-07 | — | — | CN | disclosed |
| CN-109651253-B | Phenylpropanoid ester derivative and application thereof as neuroprotective medicament | 上海医药工业研究院 | 2022-03-25 | — | — | CN | disclosed |