Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CCR1 | P32246 | 4/20 | 0.49 |
| ▸ | CCR8 | P51685 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28809041 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL12708372 | 0.89 | CCR1 (0.51) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL9976748 | 0.87 | CCR1 (0.48) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL15372035 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL16433771 | 0.84 | CCR1 (0.44) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL20726858 | 0.84 | CCR1 (0.44) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL27934158 | 0.84 | CCR1 (0.46) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL20726856 | 0.83 | CCR1 (0.46) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL14478694 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CCR1CCR8L3MBTL1KDM4E | |
| SCHEMBL9976763 | 0.83 | CYP17A1 (0.45) | ALDH1A1CCR1CCR8L3MBTL1KDM4E |
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 |