Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.49 |
| ▸ | BRD9 | Q9H8M2 | 3/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29124533 | 0.85 | ROCK2 (0.43) | ROCK2HSD17B3L3MBTL1GAA | |
| SCHEMBL29124531 | 0.82 | HSD17B3 (0.57) | ROCK2HSD17B3CYP2C9CYP1A2MAPT | |
| SCHEMBL29124532 | 0.77 | PPARD (0.46) | ROCK2HSD17B3 | |
| SCHEMBL29124525 | 0.77 | SMN1; SMN2 (0.44) | ROCK2HSD17B3LMNA | |
| SCHEMBL29124535 | 0.75 | PPARD (0.44) | ROCK2HSD17B3 | |
| SCHEMBL29124529 | 0.75 | PPARD (0.44) | ROCK2HSD17B3MAPT | |
| SCHEMBL29124527 | 0.74 | ALDH1A1 (0.45) | ROCK2HSD17B3 | |
| SCHEMBL16196788 | 0.69 | PPARD (0.47) | ROCK2HSD17B3MAPT | |
| SCHEMBL7458461 | 0.68 | MAPT (0.56) | HSD17B3GAAMAPTLMNA | |
| SCHEMBL2393523 | 0.68 | BRD9 (0.43) | BRD9MCHR1CYP2C9CYP1A2L3MBTL1 |
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 |