Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.78 |
| ▸ | MEN1 | O00255 | 3/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.75 |
| ▸ | PPARA | Q07869 | 3/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | PPARG | P37231 | 1/20 | 0.71 |
| ▸ | PPARD | Q03181 | 1/20 | 0.71 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.60 |
| ▸ | AR | P10275 | 1/20 | 0.60 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.60 |
| ▸ | ACR | P10323 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Eugenyl Acetate SCHEMBL112232 | 0.88 | PTGS1 (1.00) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| Eugenyl Acetate SCHEMBL14764089 | 0.88 | PTGS1 (1.00) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| SCHEMBL28672434 | 0.88 | PTGS1 (0.78) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| Eugenyl Acetate SCHEMBL29802968 | 0.88 | PTGS1 (1.00) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| Methyleugenol SCHEMBL28484578 | 0.88 | PPARA (0.81) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| SCHEMBL2556525 | 0.87 | PTGS1 (0.76) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| SCHEMBL30464902 | 0.87 | PTGS1 (0.76) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| SCHEMBL6861607 | 0.87 | PTGS1 (0.76) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| SCHEMBL16433001 | 0.87 | PTGS1 (0.76) | PTGS1MEN1KMT2ACYP3A4TDP1 | |
| SCHEMBL5188188 | 0.87 | PTGS1 (0.76) | PTGS1MEN1KMT2ACYP3A4TDP1 |
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-115093336-B | Vanilla-based gemini surfactant, and preparation method and application thereof | 宁波锋成先进能源材料研究院 | 2023-08-11 | — | — | CN | disclosed |
| CN-115093336-A | Vanillyl gemini surfactant as well as preparation method and application thereof | 宁波锋成先进能源材料研究院 | 2022-09-23 | — | — | CN | disclosed |