Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.93 |
| ▸ | MEN1 | O00255 | 7/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.62 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.62 |
| ▸ | ABAT | P80404 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.62 |
| ▸ | TOP2A | P11388 | 1/20 | 0.61 |
| ▸ | ALPI | P09923 | 1/20 | 0.57 |
| ▸ | ALPG | P10696 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.56 |
| ▸ | BCR | P11274 | 1/20 | 0.56 |
| ▸ | PIM1 | P11309 | 2/20 | 0.53 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.53 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Ethyl Vanillin SCHEMBL30247 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL719058 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL29351334 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL28027365 | 0.95 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL30402049 | 0.95 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL5277489 | 0.95 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL28208513 | 0.95 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL27438399 | 0.93 | ALDH1A1 (0.93) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL28149909 | 0.93 | ALDH1A1 (0.93) | ALDH1A1MEN1KMT2AHPGDTRIM24 | |
| Ethyl Vanillin SCHEMBL28148836 | 0.93 | ALDH1A1 (0.93) | ALDH1A1MEN1KMT2AHPGDTRIM24 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115141133-B | Tobacco aroma-suppressing substance and preparation method and application thereof | 河南中烟工业有限责任公司 | 2023-06-16 | — | — | CN | disclosed |