Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | STS | P08842 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 3/20 | 0.44 |
| ▸ | MMP3 | P08254 | 3/20 | 0.44 |
| ▸ | MMP7 | P09237 | 3/20 | 0.44 |
| ▸ | MMP9 | P14780 | 3/20 | 0.44 |
| ▸ | MMP8 | P22894 | 3/20 | 0.44 |
| ▸ | MMP13 | P45452 | 3/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | CTSE | P14091 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17870704 | 0.87 | MAPT (0.39) | ALDH1A1EPHX2MAPTLMNA | |
| SCHEMBL30178359 | 0.85 | ALDH1A1 (0.51) | ALDH1A1STSEPHX2HTTNPC1 | |
| SCHEMBL19873976 | 0.82 | ACHE (0.39) | ALDH1A1HTTMAPTMAPK1MEN1 | |
| SCHEMBL30178331 | 0.80 | ALDH1A1 (0.56) | ALDH1A1STSEPHX2HTTNPC1 | |
| SCHEMBL22587904 | 0.79 | ALDH1A1 (0.68) | ALDH1A1STSEPHX2HTTNPC1 | |
| SCHEMBL16136067 | 0.77 | ALDH1A1 (0.68) | ALDH1A1STSEPHX2HTTNPC1 | |
| SCHEMBL7381166 | 0.75 | ALDH1A1 (0.69) | ALDH1A1STSEPHX2HTTMAPT | |
| SCHEMBL4732973 | 0.75 | EPHX2 (0.61) | ALDH1A1STSEPHX2HTTMAPT | |
| SCHEMBL3267551 | 0.75 | EPHX1 (0.57) | ALDH1A1EPHX2HTTNPC1MAPT | |
| SCHEMBL31191746 | 0.75 | SLC2A1 (0.52) | ALDH1A1STSEPHX2DYRK1A |
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-3708566-B1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | GALDERMA RES & DEV (FR) | 2023-02-08 | — | — | EP | disclosed |