Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29124530 | 0.85 | ROCK2 (0.49) | ROCK2L3MBTL1HSD17B3GAA | |
| SCHEMBL29124531 | 0.78 | HSD17B3 (0.57) | ROCK2KMT2AHSD17B3 | |
| SCHEMBL29124532 | 0.73 | PPARD (0.46) | ROCK2MEN1KMT2AHSD17B3 | |
| SCHEMBL29124527 | 0.72 | ALDH1A1 (0.45) | ROCK2HSD17B3 | |
| SCHEMBL29124529 | 0.70 | PPARD (0.44) | ROCK2HSD17B3 | |
| SCHEMBL29124535 | 0.70 | PPARD (0.44) | ROCK2HSD17B3 | |
| SCHEMBL29124525 | 0.69 | SMN1; SMN2 (0.44) | ROCK2HSD17B3 | |
| SCHEMBL3535318 | 0.64 | HTR1A (0.44) | ROCK2HSD17B3 | |
| SCHEMBL15033478 | 0.62 | G6PD (0.61) | MEN1KMT2AL3MBTL1GAA | |
| SCHEMBL10975563 | 0.62 | RAB9A (0.55) | MEN1KMT2AGAA |
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-115181156-B | Hederagenin derivative and application thereof in preparation of antitumor drugs | 延边大学 | 2023-11-10 | — | — | CN | disclosed |