Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CCR1 | P32246 | 4/20 | 0.45 |
| ▸ | CCR8 | P51685 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | GRK2 | P25098 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29653978 | 0.80 | GRK2 (0.45) | ALDH1A1L3MBTL1GSK3BGRK2MAPT | |
| SCHEMBL7321475 | 0.80 | GRK2 (0.45) | ALDH1A1L3MBTL1GSK3BGRK2MAPT | |
| SCHEMBL12914331 | 0.74 | L3MBTL1 (0.68) | ALDH1A1CCR1CCR8L3MBTL1HTR1A | |
| SCHEMBL2490828 | 0.74 | CHRM2 (0.50) | ALDH1A1GSK3BGRK2MAPTKDM4E | |
| SCHEMBL15372035 | 0.74 | ALDH1A1 (0.61) | ALDH1A1CCR1CCR8L3MBTL1MAPT | |
| SCHEMBL17899328 | 0.73 | CCR1 (0.61) | ALDH1A1CCR1CCR8L3MBTL1PDE4D | |
| SCHEMBL16796316 | 0.73 | GSK3B (0.45) | ALDH1A1GSK3BGRK2MAPTKDM4E | |
| SCHEMBL28808993 | 0.73 | CCR1 (0.62) | ALDH1A1CCR1CCR8L3MBTL1PDE4D | |
| SCHEMBL29720360 | 0.73 | CCR1 (0.62) | ALDH1A1CCR1CCR8L3MBTL1PDE4D | |
| SCHEMBL28809063 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CCR1CCR8L3MBTL1PDE4D |
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-114736158-B | Substituted aza [5] spiroalkene derivative, and preparation method and application thereof | 苏州大学 | 2024-01-05 | — | — | CN | disclosed |