Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.71 |
| ▸ | MAOA | P21397 | 1/20 | 0.64 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.62 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 6/20 | 0.56 |
| ▸ | ACHE | P22303 | 5/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29181747 | 1.00 | MAOB (0.71) | MAOBMAOAABCG2ESR1ESR2 | |
| SCHEMBL29014173 | 0.97 | MAOB (0.71) | MAOBMAOAABCG2ESR1ESR2 | |
| SCHEMBL29574815 | 0.93 | MAOB (0.73) | MAOBMAOAABCG2ESR1ESR2 | |
| SCHEMBL2995392 | 0.88 | MAOB (0.70) | MAOBABCG2HRH3CYP1B1BCHE | |
| SCHEMBL2990657 | 0.88 | MAOB (0.70) | MAOBABCG2HRH3CYP1B1BCHE | |
| SCHEMBL29181783 | 0.88 | MAOB (0.71) | MAOBMAOAABCG2HRH3CYP1B1 | |
| SCHEMBL2990656 | 0.88 | MAOB (0.70) | MAOBABCG2HRH3CYP1B1BCHE | |
| SCHEMBL2995394 | 0.88 | MAOB (0.70) | MAOBABCG2HRH3CYP1B1BCHE | |
| SCHEMBL31463109 | 0.88 | MAOB (0.71) | MAOBMAOAABCG2CYP1B1BCHE | |
| SCHEMBL29014268 | 0.88 | MAOB (0.71) | MAOBMAOAABCG2CYP1B1BCHE |
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 |