Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.72 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
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 SCHEMBL28534378 | 0.89 | ALDH1A1 (0.85) | ALDH1A1HSD17B10TDP1MAPTRAB9A | |
| Piperonal SCHEMBL29318 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1MAPTRAB9A | |
| Piperonal SCHEMBL29411164 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1MAPTRAB9A | |
| Piperonal SCHEMBL1864802 | 0.85 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1MAPTRAB9A | |
| SCHEMBL3674337 | 0.84 | MAPT (0.64) | ALDH1A1MAPTRAB9AKDM4ENPC1 | |
| SCHEMBL3674336 | 0.84 | MAPT (0.64) | ALDH1A1MAPTRAB9AKDM4ENPC1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL7527629 | 0.83 | ALDH1A1 (0.70) | ALDH1A1HSD17B10TDP1MAPTRAB9A | |
| Piperonal SCHEMBL28017062 | 0.83 | ALDH1A1 (0.96) | ALDH1A1HSD17B10TDP1MAPTRAB9A | |
| Piperonal SCHEMBL5958791 | 0.83 | ALDH1A1 (0.96) | ALDH1A1HSD17B10TDP1MAPTRAB9A | |
| Piperonal SCHEMBL9424697 | 0.81 | ALDH1A1 (0.72) | ALDH1A1HSD17B10TDP1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2863863-B1 | REDUCTION OF TOOTH STAINING DERIVED FROM CATIONIC ANTIMICROBIALS | PROCTER & GAMBLE (US) | 2018-05-30 | — | — | EP | disclosed |