Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | SLCO1B3 | Q9NPD5 | 8/20 | 0.38 |
| ▸ | SLCO1B1 | Q9Y6L6 | 8/20 | 0.38 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| 4Alpha-Hydroxyfraxinellone SCHEMBL30150287 | 0.86 | GAA (0.66) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| 4Alpha-Hydroxyfraxinellone SCHEMBL30697308 | 0.86 | GAA (0.66) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| Fraxinellonone SCHEMBL29065291 | 0.79 | GAA (0.70) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| Fraxinellone SCHEMBL17503654 | 0.79 | GAA (1.00) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| Fraxinellone SCHEMBL17503653 | 0.79 | GAA (1.00) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| Fraxinellone SCHEMBL25272092 | 0.79 | GAA (1.00) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| SCHEMBL30008897 | 0.65 | GAA (0.72) | GAATSHRALDH1A1 | |
| SCHEMBL19590566 | 0.62 | GAA (0.45) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| SCHEMBL30150305 | 0.61 | GAA (0.44) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| SCHEMBL25034707 | 0.59 | CYP3A4 (0.70) | CYP3A4SLCO1B3SLCO1B1TP53USP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536626-B | Total synthesis method of racemized fraxinellone | 中国药科大学 | 2023-09-22 | — | — | CN | disclosed |
| CN-115536626-A | Total synthesis method of racemic fraxinellone | 中国药科大学 | 2022-12-30 | — | — | CN | disclosed |