Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.73 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.66 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.66 |
| ▸ | BCHE | P06276 | 14/20 | 0.65 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.61 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 12/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.55 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.55 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29014245 | 0.98 | MAOB (0.73) | MAOBKEAP1NFE2L2BCHECYP1B1 | |
| SCHEMBL25207818 | 0.87 | MAOB (0.71) | MAOBKEAP1NFE2L2BCHECYP1B1 | |
| SCHEMBL30383204 | 0.87 | MAOB (0.71) | MAOBKEAP1NFE2L2BCHECYP1B1 | |
| SCHEMBL29014203 | 0.87 | MAOA (0.60) | MAOBBCHEACHE | |
| SCHEMBL29014180 | 0.87 | MAOB (0.71) | MAOBKEAP1NFE2L2BCHECYP1B1 | |
| SCHEMBL29014198 | 0.86 | BCHE (0.57) | BCHEACHE | |
| SCHEMBL11343789 | 0.85 | MAOB (1.00) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL1180395 | 0.85 | MAOB (1.00) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL30698337 | 0.85 | MAOB (0.60) | MAOBBCHEACHE | |
| SCHEMBL29014230 | 0.85 | MAOA (0.60) | MAOBBCHEACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116217461-B | Chalcone derivative containing indole structure and preparation method and application thereof | 贵州大学 | 2024-10-18 | — | — | CN | disclosed |
| CN-117343024-A | Chalcone derivative containing benzoxazole structure and preparation method and application thereof | 贵州大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-116217461-A | Chalcone derivative containing indole structure and preparation method and application thereof | 贵州大学 | 2023-06-06 | — | — | CN | disclosed |