Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 10/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5201622 | 0.99 | NISCH (0.55) | NISCHMAOAMAOBARADRA1A | |
| SCHEMBL5201601 | 0.88 | NISCH (0.56) | NISCHMAOAMAOBADRA1AHTR1A | |
| Hydrochloric Acid SCHEMBL5202978 | 0.87 | NISCH (0.54) | NISCHMAOAMAOBADRA1AHTR1A | |
| Hydrochloric Acid SCHEMBL5203127 | 0.86 | NISCH (0.53) | NISCHMAOAMAOBADRA1AHTR1A | |
| Hydrochloric Acid SCHEMBL8547827 | 0.86 | NISCH (0.53) | NISCHMAOAMAOBADRA1AHTR1A | |
| SCHEMBL5233626 | 0.83 | NISCH (0.59) | NISCHMAOAMAOBARADRA1A | |
| Hydrochloric Acid SCHEMBL5204122 | 0.82 | NISCH (0.57) | NISCHMAOAMAOBARADRA1A | |
| Hydrochloric Acid SCHEMBL8475347 | 0.78 | NISCH (0.57) | NISCHMAOAMAOBARADRA1A | |
| SCHEMBL8478297 | 0.76 | NISCH (0.58) | NISCHMAOAMAOBADRA1AHTR1A | |
| SCHEMBL546875 | 0.74 | NISCH (1.00) | NISCHMAOAMAOBADRA1AHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0887346-B1 | N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists | HOFFMANN LA ROCHE (CH) | 2007-12-12 | — | — | EP | claimed |