Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Piperonal. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Piperonal SCHEMBL358063 | 0.93 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TDP1MAPTKDM4E | |
| Piperonal SCHEMBL5277282 | 0.86 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TDP1MAPTKDM4E | |
| Piperonal SCHEMBL873083 | 0.84 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TDP1MAPTKDM4E | |
| Isovanillin SCHEMBL19405336 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPTAPPHPGD | |
| Vanillin SCHEMBL4665586 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TDP1MAPTAPP | |
| Ethyl Vanillin SCHEMBL434399 | 0.76 | ALDH1A1 (0.70) | ALDH1A1TDP1MAPTKDM4ERAB9A | |
| Ethyl Vanillin SCHEMBL367277 | 0.76 | ALDH1A1 (0.70) | ALDH1A1TDP1MAPTKDM4ERAB9A | |
| Vanillin SCHEMBL118411 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TDP1MAPTAPP | |
| Vanillin SCHEMBL432750 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TDP1MAPTAPP | |
| Piperonal SCHEMBL5839673 | 0.76 | ALDH1A1 (0.79) | ALDH1A1HSD17B10TDP1MAPTKDM4E |
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-2595642-A2 | COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS | The Procter and Gamble Company (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012012385-A2 | COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS | THE PROCTER & GAMBLE COMPANY (US) | 2012-01-26 | — | — | WO | disclosed |