Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL31525537 | 0.86 | HTT (0.43) | ALDH1A1HDAC1LMNAMEN1KMT2A | |
| SCHEMBL31247935 | 0.85 | MAPT (0.40) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL31525709 | 0.84 | HTT (0.43) | ALDH1A1HDAC1LMNAMEN1KMT2A | |
| SCHEMBL31525367 | 0.83 | HTT (0.43) | ALDH1A1HDAC1LMNAMEN1KMT2A | |
| SCHEMBL15120804 | 0.82 | MAOA (0.53) | ALDH1A1HDAC1LMNAMEN1KMT2A | |
| SCHEMBL251712 | 0.80 | MAOA (0.44) | ALDH1A1HDAC1LMNAMEN1KMT2A | |
| SCHEMBL195534 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HDAC1LMNAMEN1KMT2A | |
| SCHEMBL31525303 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HDAC1LMNAMEN1KMT2A | |
| SCHEMBL28510872 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HDAC1LMNAMEN1KMT2A | |
| SCHEMBL31691252 | 0.79 | HTT (0.39) | ALDH1A1HDAC1LMNAMEN1KMT2A |
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 |