Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SLC40A1 | Q9NP59 | 3/20 | 0.44 |
| ▸ | CCR1 | P32246 | 2/20 | 0.44 |
| ▸ | CCR8 | P51685 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28808968 | 1.00 | TOP1 (0.58) | TOP1ALDH1A1SLC40A1CCR1CCR8 | |
| SCHEMBL29720504 | 0.83 | TOP1 (0.55) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL28808961 | 0.83 | TOP1 (0.55) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL15372035 | 0.82 | ALDH1A1 (0.61) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL28809053 | 0.80 | ALDH1A1 (0.63) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL28453678 | 0.80 | ALDH1A1 (0.54) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL28808995 | 0.80 | CCR1 (0.56) | ALDH1A1CCR1CCR8L3MBTL1CKS1B | |
| SCHEMBL29720513 | 0.80 | ALDH1A1 (0.63) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL29720356 | 0.80 | CCR1 (0.56) | ALDH1A1CCR1CCR8L3MBTL1CKS1B | |
| SCHEMBL17899329 | 0.79 | CCR1 (0.61) | TOP1ALDH1A1CCR1CCR8L3MBTL1 |
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-114736158-B | Substituted aza [5] spiroalkene derivative, and preparation method and application thereof | 苏州大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-114736158-A | Substituted aza [5] helicene derivative and preparation method and application thereof | 苏州大学 | 2022-07-12 | — | — | CN | disclosed |