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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | TACR2 | P21452 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9687461 | 0.97 | KDM4E (0.55) | KDM4EALDH1A1L3MBTL1MEN1KMT2A | |
| Potassium Ion SCHEMBL9686360 | 0.97 | KDM4E (0.55) | KDM4EALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL9688196 | 0.97 | KDM4E (0.55) | KDM4EALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL1515811 | 0.85 | KDM4E (0.57) | KDM4EALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL9687000 | 0.83 | CYP1A2 (0.50) | KDM4EALDH1A1MEN1KMT2AGAA | |
| SCHEMBL1004449 | 0.82 | KDM4E (0.69) | KDM4EALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL9686330 | 0.80 | ALDH1A1 (0.47) | KDM4EALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL9686348 | 0.80 | ALDH1A1 (0.47) | KDM4EALDH1A1L3MBTL1MEN1KMT2A | |
| Potassium Ion SCHEMBL9688312 | 0.80 | ALDH1A1 (0.47) | KDM4EALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL3576792 | 0.79 | ALDH1A1 (0.67) | KDM4EALDH1A1L3MBTL1MEN1KMT2A |
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 |