Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.37 |
| ▸ | USP2 | O75604 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | SLCO1B3 | Q9NPD5 | 3/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Fraxinellonone SCHEMBL29065291 | 0.69 | GAA (0.70) | TSHRGAACYP3A4USP2TDP1 | |
| SCHEMBL30574475 | 0.68 | GAA (0.46) | TSHRGAACYP3A4USP2TDP1 | |
| 4Alpha-Hydroxyfraxinellone SCHEMBL30150287 | 0.58 | GAA (0.66) | TSHRGAACYP3A4USP2TDP1 | |
| Fraxinellone SCHEMBL17503653 | 0.58 | GAA (1.00) | TSHRGAACYP3A4USP2TDP1 | |
| Fraxinellone SCHEMBL17503654 | 0.58 | GAA (1.00) | TSHRGAACYP3A4USP2TDP1 | |
| 4Alpha-Hydroxyfraxinellone SCHEMBL30697308 | 0.58 | GAA (0.66) | TSHRGAACYP3A4USP2TDP1 | |
| SCHEMBL30150288 | 0.55 | GAA (0.65) | TSHRGAACYP3A4USP2TDP1 | |
| SCHEMBL15091500 | 0.54 | ALOX5 (0.45) | TSHRCYP3A4OPRK1 | |
| SCHEMBL15091497 | 0.54 | ALOX5 (0.45) | TSHRCYP3A4OPRK1 | |
| SCHEMBL14968052 | 0.54 | HTT (0.45) | CYP3A4ALDH1A1MAPT |
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-116574077-B | Fraxinone ester A and its preparation method and application | 齐齐哈尔医学院 | 2024-10-18 | — | — | CN | disclosed |