Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.54 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.54 |
| ▸ | ABAT | P80404 | 1/20 | 0.54 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | STAT3 | P40763 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Vanillin SCHEMBL28143528 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Menthol SCHEMBL4535252 | 0.85 | ALDH1A1 (0.58) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL1457518 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL1457522 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL18797485 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| SCHEMBL9063262 | 0.82 | KDM4E (0.54) | ALDH1A1HPGDTDP1TRPV1CYP2D6 | |
| SCHEMBL27353324 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| SCHEMBL28022814 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDTRPV1TRPM8KDM4E | |
| SCHEMBL18585692 | 0.76 | KMT2A (0.56) | ALDH1A1HPGDTRPV1TRPM8CYP2D6 | |
| SCHEMBL96535 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HPGDTRPM8NFE2L2KDM4E |
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-104817455-A | Vanillin menthyl formate preparation method, and cigarette prepared with vanillin menthyl formate | HUBEI CHINA TOBACCO IND CO LTD | 2015-08-05 | — | — | CN | disclosed |
| CN-104817455-A | Vanillin menthyl formate preparation method, and cigarette prepared with vanillin menthyl formate | HUBEI CHINA TOBACCO IND CO LTD | 2015-08-05 | — | — | CN | disclosed |