Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 | 3/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| Glycine SCHEMBL8214148 | 0.91 | ALDH1A1 (0.57) | ALDH1A1HSD17B10TDP1CYP1A2KDM4E | |
| Piperonal SCHEMBL7800908 | 0.88 | HSD17B10 (0.56) | ALDH1A1HSD17B10TDP1CYP1A2TRPM8 | |
| Piperonal SCHEMBL8025660 | 0.85 | ALDH1A1 (0.64) | ALDH1A1HSD17B10TDP1CYP1A2CYP3A4 | |
| Piperonal SCHEMBL4204261 | 0.85 | ALDH1A1 (0.79) | ALDH1A1HSD17B10TDP1CYP1A2CYP3A4 | |
| Piperonal SCHEMBL29411164 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP1A2CYP3A4 | |
| Piperonal SCHEMBL1864802 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP1A2CYP3A4 | |
| Piperonal SCHEMBL29318 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP1A2CYP3A4 | |
| Piperonal SCHEMBL16161395 | 0.83 | ALDH1A1 (0.82) | ALDH1A1HSD17B10TDP1CYP1A2CYP3A4 | |
| Piperonal SCHEMBL28017062 | 0.83 | ALDH1A1 (0.96) | ALDH1A1HSD17B10TDP1CYP1A2CYP3A4 | |
| Piperonal SCHEMBL5958791 | 0.83 | ALDH1A1 (0.96) | ALDH1A1HSD17B10TDP1CYP1A2CYP3A4 |
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-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |