Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.47 |
| ▸ | VNN1 | O95497 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23959527 | 0.86 | PIK3CD (0.47) | ALDH1A1HSP90AA1PKMMAPTPIK3CD | |
| SCHEMBL23930728 | 0.80 | PIK3CD (0.51) | ALDH1A1HSP90AA1PKMMAPTPIK3CD | |
| SCHEMBL23930730 | 0.80 | PIK3CD (0.51) | ALDH1A1HSP90AA1PKMMAPTPIK3CD | |
| SCHEMBL30194846 | 0.77 | PIK3CD (0.50) | ALDH1A1HSP90AA1PKMMAPTPIK3CD | |
| SCHEMBL28478515 | 0.73 | ALDH1A1 (0.45) | ALDH1A1HSP90AA1PKMMAPTPIK3CD | |
| SCHEMBL11100629 | 0.73 | GAA (0.51) | ALDH1A1HSP90AA1PKMMAPTPIK3CD | |
| SCHEMBL31738591 | 0.72 | PIK3CD (0.48) | ALDH1A1HSP90AA1PKMMAPTPIK3CD | |
| SCHEMBL12788258 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MAPTVNN1ADORA2AADORA2B | |
| SCHEMBL30237444 | 0.71 | SMN1; SMN2 (0.58) | ALDH1A1HSP90AA1PKMMAPTPIK3CD | |
| SCHEMBL14887797 | 0.71 | ALDH1A1 (0.53) | ALDH1A1HSP90AA1PKMMAPTPIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021214472-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS | C4X DISCOVERY LIMITED (GB) | 2021-10-28 | — | — | WO | disclosed |