Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CCR1 | P32246 | 3/20 | 0.47 |
| ▸ | CCR8 | P51685 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.45 |
| ▸ | FABP1 | P07148 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL28808961 | 1.00 | TOP1 (0.55) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL15372035 | 0.86 | ALDH1A1 (0.61) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL20726911 | 0.86 | TOP1 (0.48) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL23733857 | 0.85 | TOP1 (0.49) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL28808995 | 0.84 | CCR1 (0.56) | ALDH1A1CCR1CCR8L3MBTL1GPR84 | |
| SCHEMBL29720513 | 0.84 | ALDH1A1 (0.63) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL28453678 | 0.84 | ALDH1A1 (0.54) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL28809053 | 0.84 | ALDH1A1 (0.63) | TOP1ALDH1A1CCR1CCR8L3MBTL1 | |
| SCHEMBL29720356 | 0.84 | CCR1 (0.56) | ALDH1A1CCR1CCR8L3MBTL1GPR84 | |
| SCHEMBL29720494 | 0.83 | TOP1 (0.58) | 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 |