Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL175786 | 0.86 | SNCA (0.67) | SNCACYP3A4LMNAALDH1A1TSHR | |
| SCHEMBL2207308 | 0.83 | SNCA (0.54) | SNCACYP3A4CES1TRPV1ALDH1A1 | |
| SCHEMBL9419972 | 0.83 | SNCA (0.54) | SNCACYP3A4LMNARAB9AMAPK1 | |
| SCHEMBL14780526 | 0.83 | CES2 (0.48) | SNCACYP3A4CES2LMNARAB9A | |
| SCHEMBL14780442 | 0.83 | CES2 (0.56) | CYP3A4CES2LMNARAB9AMAPK1 | |
| SCHEMBL548224 | 0.82 | SNCA (0.52) | SNCACYP3A4LMNARAB9AMAPK1 | |
| SCHEMBL10980639 | 0.81 | CES2 (0.53) | CES2CES1LMNARAB9AMAPK1 | |
| SCHEMBL2834698 | 0.81 | SNCA (0.58) | SNCACYP3A4CES2CES1LMNA | |
| SCHEMBL17386391 | 0.80 | SNCA (0.61) | SNCACYP3A4LMNAALDH1A1TSHR | |
| SCHEMBL461801 | 0.80 | SNCA (0.61) | SNCACYP3A4LMNAALDH1A1TSHR |
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-114409538-B | Allyl benzoate compound and preparation method thereof | 湖北工业大学 | 2023-09-26 | — | — | CN | disclosed |
| CN-114409538-A | Allyl benzoate compound and preparation method thereof | 湖北工业大学 | 2022-04-29 | — | — | CN | disclosed |