Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.82 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | VCP | P55072 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| Piperonal SCHEMBL29318 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL1864802 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL29411164 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL5958791 | 0.89 | ALDH1A1 (0.96) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL28017062 | 0.89 | ALDH1A1 (0.96) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL16161395 | 0.86 | ALDH1A1 (0.82) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL5839673 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL4204261 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL28534378 | 0.84 | ALDH1A1 (0.85) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL5283934 | 0.83 | ALDH1A1 (0.77) | ALDH1A1TDP1HSD17B10CYP3A4ATM |
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 |
|---|---|---|---|---|---|---|---|
| JP-8099971-A | — | — | None | — | — | JP | disclosed |
| JP-H0899971-A | PURIFICATION OF PIPERONAL | UBE IND LTD | 1996-04-16 | — | — | JP | disclosed |