Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 6/20 | 0.40 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | KHK | P50053 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.35 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.35 |
| ▸ | BCAT1 | P54687 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21691198 | 0.82 | CYP2D6 (0.48) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL31376036 | 0.82 | CYP2D6 (0.48) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL769651 | 0.75 | KHK (0.48) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL31261067 | 0.74 | CYP2D6 (0.42) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL30718081 | 0.74 | CYP2D6 (0.42) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL4422120 | 0.74 | AR (0.46) | CYP2D6ARSLC22A12ALDH1A1 | |
| SCHEMBL25400457 | 0.73 | BCL2A1 (0.45) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL30430517 | 0.73 | BCL2A1 (0.45) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL7575800 | 0.73 | ALDH1A1 (0.50) | CYP2D6SLC6A2SLC6A4NOS2AR | |
| SCHEMBL1880028 | 0.73 | TRPV4 (0.56) | CYP2D6SLC6A2SLC6A4NOS2MRGPRX4 |
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-119219608-A | Polycyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-12-31 | — | — | CN | disclosed |