Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | PTAFR | P25105 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 3/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28829910 | 0.85 | MAOA (0.40) | NR3C1ALDH1A1MAOAL3MBTL1GAA | |
| SCHEMBL28829903 | 0.84 | ALDH1A1 (0.43) | NR3C1ALDH1A1MAOAL3MBTL1GAA | |
| SCHEMBL28829975 | 0.84 | KDM1A (0.57) | ALDH1A1MAOARAB9A | |
| SCHEMBL28829925 | 0.84 | MEN1 (0.44) | ALDH1A1MAOAL3MBTL1GAA | |
| SCHEMBL9425470 | 0.74 | NR3C1 (0.46) | NR3C1ALDH1A1L3MBTL1PTAFRPDE4A | |
| SCHEMBL13888944 | 0.74 | MAOB (0.50) | ALDH1A1MAOAGAARAB9A | |
| SCHEMBL1494013 | 0.74 | NR3C1 (0.64) | NR3C1PTAFRPDE4APDE4BPDE4C | |
| SCHEMBL12188964 | 0.74 | MAOB (0.50) | ALDH1A1MAOAGAARAB9A | |
| Ammonia Solution, Strong SCHEMBL7288975 | 0.72 | NR3C1 (0.62) | NR3C1PTAFRPDE4APDE4BPDE4C | |
| SCHEMBL15816645 | 0.72 | NR3C1 (0.52) | NR3C1ALDH1A1L3MBTL1PTAFRGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | claimed |
| CN-116905020-A | Method for synthesizing 1, 3-fluoroamine product by electrochemical mode | 南京工业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | disclosed |