Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | SULT1E1 | P49888 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Fraxinellone SCHEMBL17503654 | 0.84 | GAA (1.00) | GAATSHRSULT1E1ALDH1A1 | |
| Fraxinellone SCHEMBL17503653 | 0.84 | GAA (1.00) | GAATSHRSULT1E1ALDH1A1 | |
| Fraxinellone SCHEMBL25272092 | 0.84 | GAA (1.00) | GAATSHRSULT1E1ALDH1A1 | |
| Fraxinellonone SCHEMBL29065291 | 0.68 | GAA (0.70) | GAATSHRSULT1E1ALDH1A1 | |
| 4Alpha-Hydroxyfraxinellone SCHEMBL30697308 | 0.65 | GAA (0.66) | GAATSHRALDH1A1 | |
| 4Alpha-Hydroxyfraxinellone SCHEMBL30150287 | 0.65 | GAA (0.66) | GAATSHRALDH1A1 | |
| SCHEMBL30150288 | 0.65 | GAA (0.65) | GAATSHRALDH1A1 | |
| SCHEMBL5714660 | 0.63 | NOTUM (0.44) | CNR1ROCK2ALDH1A1BACE1USP30 | |
| SCHEMBL5666867 | 0.63 | KMO (0.44) | CNR1ROCK2ALDH1A1USP30 | |
| SCHEMBL13454060 | 0.62 | MAPT (0.49) | GAACNR1ROCK2CTSDBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111298135-B | Fraxinellus negundo clathrate compound, pharmaceutical preparation and preparation method thereof | 郑州大学 | 2022-10-18 | — | — | CN | disclosed |