Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 9/20 | 0.60 |
| ▸ | NISCH | Q9Y2I1 | 10/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | PTGIR | P43119 | 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 | |
|---|---|---|---|---|
| SCHEMBL5201781 | 0.82 | ADRA1A (0.58) | ADRA1ANISCHADRA1DADRA1BHTR1A | |
| Hydrochloric Acid SCHEMBL5204106 | 0.81 | ADRA1A (0.57) | ADRA1ANISCHADRA1DADRA1BHTR1A | |
| SCHEMBL5201030 | 0.81 | ADRA1A (0.80) | ADRA1ANISCHADRA1DADRA1BHTR1A | |
| Hydrochloric Acid SCHEMBL5203127 | 0.81 | NISCH (0.53) | ADRA1ANISCHADRA1DADRA1BHTR1A | |
| SCHEMBL5201601 | 0.80 | NISCH (0.56) | ADRA1ANISCHADRA1DADRA1BHTR1A | |
| SCHEMBL5206394 | 0.79 | ADRA1A (0.54) | ADRA1ANISCHADRA1DADRA1BADRA2A | |
| Hydrochloric Acid SCHEMBL5202978 | 0.79 | NISCH (0.54) | ADRA1ANISCHADRA1DADRA1BHTR1A | |
| Hydrochloric Acid SCHEMBL5201136 | 0.78 | ADRA1A (0.53) | ADRA1ANISCHADRA1DADRA1BADRA2A | |
| SCHEMBL5202794 | 0.78 | ADRA1A (0.53) | ADRA1ANISCHADRA1DADRA1BHTR1A | |
| SCHEMBL4992599 | 0.77 | ADRA1A (0.45) | ADRA1ANISCHADRA1DADRA1BHTR1A |
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 | disclosed |