Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.59 |
| ▸ | NOS3 | P29474 | 2/20 | 0.59 |
| ▸ | DRD2 | P14416 | 5/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3307465 | 0.78 | NOS2 (0.61) | NOS2NOS3DRD2DRD3NISCH | |
| SCHEMBL8057615 | 0.74 | NOS2 (1.00) | NOS2NOS3DRD2DRD3ADRA2A | |
| SCHEMBL20645736 | 0.74 | NOS2 (0.56) | NOS2NOS3DRD2DRD3NISCH | |
| SCHEMBL28557410 | 0.73 | NOS2 (0.56) | NOS2NOS3DRD2DRD3NISCH | |
| SCHEMBL28931287 | 0.72 | NOS2 (0.53) | NOS2NOS3DRD2DRD3NISCH | |
| SCHEMBL3307581 | 0.72 | NOS2 (0.53) | NOS2NOS3DRD2DRD3NISCH | |
| SCHEMBL15763737 | 0.69 | NOS3 (0.52) | NOS2NOS3DRD2DRD3TAAR1 | |
| SCHEMBL8182826 | 0.68 | NOS3 (0.49) | NOS2NOS3DRD2DRD3HTR1A | |
| SCHEMBL7572470 | 0.67 | NOS3 (0.55) | NOS2NOS3DRD2DRD3HTR1A | |
| SCHEMBL8172900 | 0.66 | NOS3 (0.46) | NOS2NOS3DRD2DRD3HTR1A |
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-112789276-A | Analgesic compounds, their preparation and their pharmaceutical use | 上海海雁医药科技有限公司 | 2021-05-11 | — | — | CN | disclosed |