Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31525426 | 0.85 | MEN1 (0.43) | MEN1KMT2AGAAALDH1A1PKM | |
| SCHEMBL28829958 | 0.84 | NR3C1 (0.53) | GAAALDH1A1L3MBTL1MAOA | |
| SCHEMBL28829910 | 0.81 | MAOA (0.40) | GAAALDH1A1L3MBTL1LMNAMAOA | |
| SCHEMBL28829903 | 0.79 | ALDH1A1 (0.43) | MEN1KMT2AGAAALDH1A1L3MBTL1 | |
| SCHEMBL28829975 | 0.79 | KDM1A (0.57) | KMT2AALDH1A1LMNAMAOAMAPK1 | |
| SCHEMBL642956 | 0.78 | SMN1; SMN2 (0.48) | MEN1KMT2AGAAALDH1A1L3MBTL1 | |
| SCHEMBL16039377 | 0.77 | MEN1 (0.48) | MEN1KMT2AGAAALDH1A1PKM | |
| Bicarbonate SCHEMBL10984286 | 0.75 | EPHX2 (0.37) | ALDH1A1PKMLMNASMN1; SMN2POLB | |
| SCHEMBL14889706 | 0.74 | MEN1 (0.46) | MEN1KMT2AGAAALDH1A1LMNA | |
| SCHEMBL14889992 | 0.73 | CETP (0.45) | MEN1KMT2AGAAALDH1A1L3MBTL1 |
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 |