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 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.64 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.64 |
| ▸ | ABAT | P80404 | 1/20 | 0.64 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.64 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
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 SCHEMBL8740810 | 0.97 | ALDH1A1 (0.68) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL705158 | 0.95 | ALDH1A1 (0.71) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL8740783 | 0.92 | ALDH1A1 (0.68) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL432750 | 0.91 | ALDH1A1 (0.62) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL118411 | 0.91 | ALDH1A1 (0.62) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL4665586 | 0.91 | ALDH1A1 (0.62) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL3276975 | 0.91 | ALDH1A1 (0.66) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL5921468 | 0.90 | ALDH1A1 (0.58) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL11130854 | 0.90 | ALDH1A1 (0.61) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL8740773 | 0.90 | ALDH1A1 (0.64) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1978803-A2 | INSECT REPELLENT COMPOSITION | Darling, Samuel T. (CA) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007082306-A2 | INSECT REPELLENT COMPOSITION | DARLING SAMUEL T (CA) | 2007-07-19 | — | — | WO | disclosed |