Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SULT1E1 | P49888 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.34 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | 0.62 | GAA (1.00) | GAATSHRSULT1E1CYP3A4SLCO1B3 | |
| Fraxinellone SCHEMBL17503653 | 0.62 | GAA (1.00) | GAATSHRSULT1E1CYP3A4SLCO1B3 | |
| Fraxinellone SCHEMBL25272092 | 0.62 | GAA (1.00) | GAATSHRSULT1E1CYP3A4SLCO1B3 | |
| SCHEMBL16300025 | 0.57 | CYP3A4 (0.56) | TSHRCYP3A4TDP1SHBG | |
| SCHEMBL15195626 | 0.56 | SHBG (0.59) | TSHRCYP3A4TDP1SHBGPIK3R1 | |
| SCHEMBL19590566 | 0.56 | GAA (0.45) | GAATSHRCYP3A4SLCO1B3SLCO1B1 | |
| SCHEMBL7952364 | 0.54 | CYP3A4 (0.43) | CYP3A4SHBGPIK3R1PIK3CA | |
| SCHEMBL4227246 | 0.54 | SHBG (0.53) | TSHRCYP3A4TDP1SHBGPIK3R1 | |
| SCHEMBL11960923 | 0.54 | SHBG (0.53) | TSHRCYP3A4TDP1SHBGPIK3R1 | |
| SCHEMBL4220412 | 0.54 | SHBG (0.53) | TSHRCYP3A4TDP1SHBGPIK3R1 |
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-116751192-B | Peroxy-Chinese waxiness ketone, preparation method and application thereof | 齐齐哈尔医学院 | 2024-09-13 | — | — | CN | disclosed |
| CN-116751192-A | peroxy-Chinese waxiness ketone, preparation method and application thereof | 齐齐哈尔医学院 | 2023-09-15 | — | — | CN | disclosed |