Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | P4HB | P07237 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29816326 | 1.00 | TRPA1 (0.33) | TRPA1MAOAMAOBHTR2AHTR2C | |
| SCHEMBL28792200 | 0.74 | P4HB (0.42) | TRPA1MAOAMAOBHTR2AHTR2C | |
| SCHEMBL31207185 | 0.73 | MAOA (0.33) | TRPA1MAOAMAOB | |
| SCHEMBL28512047 | 0.73 | MCL1 (0.39) | TRPA1MAOA | |
| SCHEMBL26758909 | 0.73 | MAOA (0.37) | TRPA1MAOAMAOBHTR2AHTR2C | |
| SCHEMBL5986139 | 0.69 | MAOA (0.35) | TRPA1MAOAMAOBHTR2AHTR2C | |
| SCHEMBL2056247 | 0.69 | TRPA1 (0.38) | TRPA1MAOAMAOBHTR2AHTR2C | |
| SCHEMBL22854345 | 0.69 | P4HB (0.34) | TRPA1MAOAMAOBHTR2AHTR2C | |
| SCHEMBL29591293 | 0.68 | MAOA (0.46) | MAOAMAOBHTR2AHTR2CHTR2B | |
| SCHEMBL4419988 | 0.68 | MAOA (0.46) | MAOAMAOBHTR2AHTR2CHTR2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116829557-B | Pentaheterocycle compound, preparation method and application thereof | 上海艾力斯医药科技股份有限公司 | 2026-05-12 | — | — | CN | disclosed |
| CN-118515663-A | Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2024-08-20 | — | — | CN | disclosed |
| CN-116829557-A | Pentaheterocycle compound, preparation method and application thereof | 上海艾力斯医药科技股份有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-112159405-B | Pyridopyrimidinone compounds and application thereof | 广州必贝特医药技术有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-112159405-A | Pyridopyrimidinone compounds and application thereof | 广州必贝特医药技术有限公司 | 2021-01-01 | — | — | CN | disclosed |