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 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
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 SCHEMBL433405 | 0.93 | ALDH1A1 (0.49) | ALDH1A1HSD17B10TDP1CRHBPCRHR2 | |
| Piperonal SCHEMBL5277282 | 0.93 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TDP1CRHBPCRHR2 | |
| Piperonal SCHEMBL873083 | 0.90 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TDP1CRHBPCRHR2 | |
| Piperonal SCHEMBL5839673 | 0.81 | ALDH1A1 (0.79) | ALDH1A1HSD17B10TDP1CRHBPCRHR2 | |
| Piperonal SCHEMBL9424697 | 0.77 | ALDH1A1 (0.72) | ALDH1A1HSD17B10TDP1KDM4EGABRA1 | |
| Piperonal SCHEMBL1774149 | 0.77 | ALDH1A1 (0.82) | ALDH1A1HSD17B10TDP1KDM4EGABRA1 | |
| Isosafrole SCHEMBL5688035 | 0.76 | CYP3A4 (0.66) | ALDH1A1HSD17B10TDP1KDM4EGABRA1 | |
| Piperonal SCHEMBL27406631 | 0.76 | ALDH1A1 (0.64) | ALDH1A1HSD17B10TDP1CRHBPCRHR2 | |
| Piperonal SCHEMBL28534378 | 0.75 | ALDH1A1 (0.85) | ALDH1A1HSD17B10TDP1KDM4ECYP3A4 | |
| Piperonal SCHEMBL6905345 | 0.75 | ALDH1A1 (0.68) | ALDH1A1HSD17B10TDP1KDM4EGABRA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120014883-A1 | Compositions Comprising Derivatives Of Essential Oil Compounds And Use In Personal Care Products | THE PROCTER & GAMBLE COMPANY | 2012-01-19 | — | — | US | disclosed |