Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 2/20 | 0.52 |
| ▸ | AR | P10275 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30745479 | 0.91 | APP (0.52) | ABCG2APPHDAC3HDAC1HDAC2 | |
| SCHEMBL30745447 | 0.90 | ACHE (0.60) | ABCG2MAOBAPPARHDAC3 | |
| SCHEMBL30745466 | 0.89 | MAOA (0.53) | MAOBAPPHDAC3HDAC1HDAC2 | |
| SCHEMBL30745510 | 0.85 | ABCG2 (0.53) | ABCG2MAOBARACHEBACE1 | |
| SCHEMBL30745481 | 0.81 | MAOB (0.53) | ABCG2MAOBAPPARHDAC3 | |
| SCHEMBL25228491 | 0.79 | AR (0.70) | ABCG2MAOBARACHEBACE1 | |
| SCHEMBL30745470 | 0.79 | AR (0.58) | ABCG2MAOBARACHEBACE1 | |
| SCHEMBL30745458 | 0.79 | AR (0.57) | ABCG2MAOBARACHEBACE1 | |
| SCHEMBL30745511 | 0.75 | SMN1; SMN2 (0.53) | ABCG2MAOBAPPARACHE | |
| SCHEMBL5088647 | 0.75 | MAPT (0.62) | ABCG2ARACHEBACE1CXCL12 |
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-117567303-A | Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof | 安徽中医药大学 | 2024-02-20 | — | — | CN | claimed |
| CN-117567303-A | Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof | 安徽中医药大学 | 2024-02-20 | — | — | CN | disclosed |