Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 7/20 | 0.68 |
| ▸ | HPSE | Q9Y251 | 2/20 | 0.61 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.58 |
| ▸ | METAP1 | P53582 | 2/20 | 0.57 |
| ▸ | METAP2 | P50579 | 1/20 | 0.57 |
| ▸ | MGAM | O43451 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | SI | P14410 | 1/20 | 0.56 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | PDE5A | O76074 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11772488 | 0.98 | AURKA (0.66) | AURKAHPSEPRMT5METAP1METAP2 | |
| SCHEMBL3925926 | 0.91 | AURKA (0.68) | AURKAHPSEPRMT5METAP1METAP2 | |
| SCHEMBL1284270 | 0.84 | AURKA (0.73) | AURKAHPSEPRMT5METAP1METAP2 | |
| SCHEMBL28223244 | 0.83 | AURKA (0.68) | AURKAHPSEPRMT5METAP1METAP2 | |
| SCHEMBL6265481 | 0.83 | AURKA (0.68) | AURKAHPSEPRMT5METAP1METAP2 | |
| SCHEMBL7434682 | 0.83 | AURKA (0.68) | AURKAHPSEPRMT5METAP1METAP2 | |
| SCHEMBL11770396 | 0.83 | AURKA (0.70) | AURKAHPSEPRMT5METAP1METAP2 | |
| Hydrochloric Acid SCHEMBL11776694 | 0.83 | AURKA (0.71) | AURKAHPSEPRMT5METAP1METAP2 | |
| SCHEMBL11155883 | 0.83 | AURKA (0.67) | AURKAHPSEPRMT5METAP1METAP2 | |
| SCHEMBL23870533 | 0.83 | AURKA (0.65) | AURKAHPSEPRMT5METAP1METAP2 |
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-113956208-B | Aryl heterocyclic derivative and synthesis method thereof | 郑州大学 | 2023-08-15 | — | — | CN | disclosed |
| CN-113956208-A | Aryl heterocyclic derivative and synthetic method thereof | 郑州大学 | 2022-01-21 | — | — | CN | disclosed |