Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 10/20 | 0.61 |
| ▸ | PDE4A | P27815 | 2/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2970084 | 0.88 | APP (0.66) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19183186 | 0.82 | PDE4A (0.70) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19183187 | 0.82 | PDE4A (0.70) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30383293 | 0.82 | MAOB (0.76) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10610437 | 0.82 | PDE4A (0.74) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25214887 | 0.82 | MAOB (0.76) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10610432 | 0.82 | PDE4A (0.74) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25214886 | 0.82 | MAOB (0.76) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31420038 | 0.82 | NPC1 (0.78) | APPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25265332 | 0.82 | APP (0.78) | APPHPGDALDH1A1MEN1KMT2A |
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-113995738-B | Application of 2' -halogenated chalcone derivative in preparation of medicine for treating liver related diseases | 中国医学科学院药物研究所 | 2024-02-06 | — | — | CN | disclosed |
| CN-113979851-B | 2' -halogenated chalcone derivative, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-01-12 | — | — | CN | disclosed |