Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.57 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TLR4 | O00206 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28829958 | 0.84 | NR3C1 (0.53) | MAOARAB9AALDH1A1 | |
| SCHEMBL28829910 | 0.81 | MAOA (0.40) | KDM1AMAOALMNATUBB1ALDH1A1 | |
| SCHEMBL28829925 | 0.79 | MEN1 (0.44) | MAOALMNAMAPK1HTTTUBB1 | |
| SCHEMBL28829903 | 0.79 | ALDH1A1 (0.43) | KDM1AMAOARAB9AALDH1A1MAOB | |
| SCHEMBL21101398 | 0.77 | KDM1A (0.62) | KDM1ALMNAMAPK1HTTRAB9A | |
| SCHEMBL1445498 | 0.74 | KDM1A (0.58) | KDM1AMAOALMNAMAPK1HTT | |
| SCHEMBL27440827 | 0.72 | KDM1A (1.00) | KDM1AMAOASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30630927 | 0.72 | KDM1A (1.00) | KDM1AMAOASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5386140 | 0.72 | KDM1A (0.57) | KDM1AMAOALMNAMAPK1HTT | |
| SCHEMBL12716503 | 0.71 | KDM1A (0.55) | KDM1ALMNAMAPK1HTTRAB9A |
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 |