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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 14/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.33 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 SCHEMBL9686356 | 0.97 | ERN1 (0.38) | ERN1CA1CA2ALDH1A1CYP1A2 | |
| SCHEMBL9688193 | 0.97 | ERN1 (0.38) | ERN1CA1CA2ALDH1A1CYP1A2 | |
| SCHEMBL9687459 | 0.97 | ERN1 (0.38) | ERN1CA1CA2ALDH1A1CYP1A2 | |
| SCHEMBL4755047 | 0.86 | MAPT (0.43) | ERN1CA1CA2MAPTLMNA | |
| SCHEMBL1940680 | 0.79 | ERN1 (0.44) | ERN1CA1CA2MAPTLMNA | |
| SCHEMBL14542987 | 0.76 | ERN1 (0.37) | ERN1CA1CA2MAPTLMNA | |
| SCHEMBL4757842 | 0.73 | MAPT (0.42) | ERN1CA1CA2MAPTLMNA | |
| SCHEMBL4755033 | 0.72 | MAPT (0.41) | ERN1CA1CA2MAPTLMNA | |
| SCHEMBL29818618 | 0.69 | ALDH1A1 (0.37) | ERN1CA1CA2ALDH1A1CYP1A2 | |
| SCHEMBL1396832 | 0.68 | CA1 (0.54) | ERN1CA1CA2ALDH1A1TRIM24 |
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 |