Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.47 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.47 |
| ▸ | ABAT | P80404 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 6/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9686330 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| SCHEMBL9687000 | 0.97 | CYP1A2 (0.50) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| Potassium Ion SCHEMBL9688312 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| SCHEMBL29954196 | 0.83 | PKM (0.51) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| SCHEMBL1981806 | 0.83 | PKM (0.51) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| SCHEMBL9687461 | 0.83 | KDM4E (0.55) | ALDH1A1HPGDCYP3A4CYP1A2TSHR | |
| SCHEMBL4757716 | 0.82 | KMT2A (0.49) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| SCHEMBL9686354 | 0.82 | PKM (0.50) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| SCHEMBL4756891 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HPGDTRIM24ALDH5A1ABAT | |
| SCHEMBL9687007 | 0.82 | PKM (0.50) | ALDH1A1HPGDTRIM24ALDH5A1ABAT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0514202-A2 | Smoking compositions containing a vanillin-release additive | Philip Morris Products Inc. (US) | 1992-11-19 | — | — | EP | disclosed |
| US-5144965-A | Vanillin carboxylate type additive pyrolyzes to ethyl vanillin; cigarettes | PHILIP MORRIS INCORPORATED (US) | 1992-09-08 | — | — | US | disclosed |