Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.49 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | 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 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.44 |
| ▸ | STAT3 | P40763 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL9688312 | 0.97 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9686348 | 0.97 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9686330 | 0.97 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL29954196 | 0.83 | PKM (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL1981806 | 0.83 | PKM (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9687016 | 0.83 | KDM4E (0.55) | CYP1A2CYP3A4ALDH1A1HPGDGAA | |
| SCHEMBL4757716 | 0.82 | KMT2A (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL4756891 | 0.82 | ALDH1A1 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9686354 | 0.82 | PKM (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9687007 | 0.82 | PKM (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 |
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 4 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 | claimed |
| US-5144965-A | Vanillin carboxylate type additive pyrolyzes to ethyl vanillin; cigarettes | PHILIP MORRIS INCORPORATED (US) | 1992-09-08 | — | — | US | claimed |
| 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 |