Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.53 |
| ▸ | CCR8 | P51685 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.44 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28810098 | 1.00 | CCR1 (0.53) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL29720356 | 0.84 | CCR1 (0.56) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL28808995 | 0.84 | CCR1 (0.56) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL15372035 | 0.84 | ALDH1A1 (0.61) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL12900890 | 0.81 | CCR1 (0.53) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL22963399 | 0.81 | ALDH1A1 (0.50) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL18806863 | 0.80 | CCR1 (0.58) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL20081037 | 0.80 | CCR1 (0.49) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL29720563 | 0.80 | ALDH1A1 (0.56) | CCR1CCR8ALDH1A1CCR5L3MBTL1 | |
| SCHEMBL28809041 | 0.80 | ALDH1A1 (0.56) | CCR1CCR8ALDH1A1CCR5L3MBTL1 |
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 |