Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 8/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.50 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 4/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30792263 | 0.85 | MAOB (0.53) | MAOBAPPNR4A2ALKBH1MAOA | |
| SCHEMBL457443 | 0.84 | P4HTM (0.53) | MAOBAPPNR4A2ALKBH1MAOA | |
| SCHEMBL27525340 | 0.82 | MAOB (0.55) | MAOBAPPNR4A2ALKBH1DHFR | |
| SCHEMBL10991891 | 0.81 | MAOB (0.80) | MAOBAPPNR4A2DHFRMAOA | |
| SCHEMBL30792322 | 0.80 | MAOB (0.50) | MAOBALKBH1MAOA | |
| SCHEMBL11177596 | 0.78 | MAOB (0.59) | MAOBAPPNR4A2DHFRMAOA | |
| SCHEMBL30792245 | 0.78 | MAOB (0.61) | MAOBNR4A2ALKBH1DHFRMAOA | |
| SCHEMBL28999635 | 0.78 | MAOB (0.54) | MAOBAPPNR4A2DHFRMAOA | |
| SCHEMBL11426766 | 0.76 | MAOB (0.61) | MAOBAPPNR4A2DHFRMAOA | |
| SCHEMBL13321691 | 0.75 | MAOB (0.60) | MAOBAPPNR4A2DHFRMAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117658885-A | Benzyloxy aryl compound and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-03-08 | — | — | CN | disclosed |