Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28829958 | 0.84 | NR3C1 (0.53) | ALDH1A1GAARAB9AMAOAL3MBTL1 | |
| SCHEMBL28829910 | 0.81 | MAOA (0.40) | ALDH1A1GAAALOX15SMN1; SMN2MAOA | |
| SCHEMBL28829925 | 0.79 | MEN1 (0.44) | ALDH1A1GAAMAPTSMN1; SMN2MAOA | |
| SCHEMBL28829975 | 0.79 | KDM1A (0.57) | ALDH1A1RAB9AMAOAKDM1AMAOB | |
| SCHEMBL25309520 | 0.77 | QDPR (0.45) | ALDH1A1GAAMAPTALOX15RAB9A | |
| Bicarbonate SCHEMBL10981901 | 0.75 | MAPT (0.43) | ALDH1A1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL31454776 | 0.74 | GSTO1 (0.45) | ALDH1A1GAAMAPTALOX15RAB9A | |
| SCHEMBL30360985 | 0.73 | NR3C1 (0.69) | ALDH1A1GAAMEN1KMT2ANR3C1 | |
| SCHEMBL7002457 | 0.72 | KDM1A (0.66) | ALDH1A1MAOAKDM1AMAOB | |
| SCHEMBL7002459 | 0.72 | KDM1A (0.66) | ALDH1A1MAOAKDM1AMAOB |
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-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | claimed |
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | disclosed |