Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Vanillin. 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 | |
|---|---|---|---|---|
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.76 |
| ▸ | HPGD | P15428 | 2/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.76 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.76 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.76 |
| ▸ | ABAT | P80404 | 1/20 | 0.76 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.76 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.57 |
| ▸ | XDH | P47989 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| Vanillin SCHEMBL356799 | 0.97 | ALDH1A1 (0.81) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL44060 | 0.94 | ALDH1A1 (0.86) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL10335743 | 0.91 | ALDH1A1 (0.81) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL27673973 | 0.89 | ALDH1A1 (0.89) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL14975994 | 0.89 | ALDH1A1 (0.68) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL26927685 | 0.88 | ALDH1A1 (0.76) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL1434834 | 0.88 | ALDH1A1 (0.76) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL720723 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL1213 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL29354839 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20090238905-A1 | INFLAMMATION REDUCING ACTION OF SYNERGISTIC MIXTURES OF BISABOLOL AND GINGER EXTRACTS | SYMRISE, INC. (US) | 2009-09-24 | — | — | US | claimed |
| US-20090238905-A1 | INFLAMMATION REDUCING ACTION OF SYNERGISTIC MIXTURES OF BISABOLOL AND GINGER EXTRACTS | SYMRISE, INC. (US) | 2009-09-24 | — | — | US | disclosed |