Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | PDE5A | O76074 | 2/20 | 0.46 |
| ▸ | PDE9A | O76083 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29235466 | 0.88 | TP53 (0.46) | TP53PDE5APDE9AGABRA5GABRA1 | |
| SCHEMBL31377494 | 0.78 | GABRA5 (0.42) | TP53GABRA5PARP1POLBCHEK1 | |
| SCHEMBL4763948 | 0.78 | PARP1 (0.59) | GABRA5GABRA1PARP1POLBCHEK1 | |
| SCHEMBL30095396 | 0.78 | PARP1 (0.59) | GABRA5GABRA1PARP1POLBCHEK1 | |
| SCHEMBL31353079 | 0.77 | GRIN2D (0.36) | TP53GABRA5GABRA1LCK | |
| SCHEMBL31026839 | 0.77 | TP53 (0.35) | TP53PDE5APDE9AGABRA5GABRA1 | |
| SCHEMBL29235228 | 0.77 | GRIA1 (0.46) | TP53PDE5APDE9A | |
| SCHEMBL29235288 | 0.77 | GRIN2D (0.37) | TP53GABRA5GABRA1LCK | |
| SCHEMBL7983698 | 0.77 | TP53 (0.35) | TP53PDE5APDE9AGABRA5GABRA1 | |
| SCHEMBL4036186 | 0.76 | PARP1 (0.42) | GABRA5GABRA1PARP1POLBCHEK1 |
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-119143752-A | Aminoquinoline derivative, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-12-17 | — | — | CN | disclosed |