Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 8/20 | 0.59 |
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 3/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 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 SCHEMBL5201234 | 0.99 | NISCH (0.58) | NISCHMAOAMAOBADRA1APARP1 | |
| SCHEMBL5203987 | 0.80 | NISCH (0.68) | NISCHMAOAMAOBADRA1AHTR1A | |
| Hydrochloric Acid SCHEMBL5201240 | 0.79 | NISCH (0.66) | NISCHMAOAMAOBADRA1AHTR1A | |
| SCHEMBL11264214 | 0.77 | NISCH (0.68) | NISCHMAOAMAOBADRA1AHTR1A | |
| SCHEMBL3173653 | 0.77 | NISCH (0.68) | NISCHMAOAMAOBADRA1AHTR1A | |
| SCHEMBL546875 | 0.76 | NISCH (1.00) | NISCHMAOAMAOBADRA1AHTR1A | |
| SCHEMBL11270249 | 0.75 | NISCH (0.61) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL11130963 | 0.75 | NISCH (0.64) | NISCHMAOAMAOBADRA1AHTR1A | |
| Hydrochloric Acid SCHEMBL11259967 | 0.74 | NISCH (0.97) | NISCHMAOAMAOBADRA1AHTR1A | |
| SCHEMBL3163279 | 0.74 | NISCH (0.62) | 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 6 patents. 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 |
| CN-1262547-C | Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative | HOFFMANN LA ROCHE (CH) | 2006-07-05 | — | — | CN | disclosed |
| CN-1176910-C | Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives | - | 2004-11-24 | — | — | CN | disclosed |
| CN-1515562-A | Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative | - | 2004-07-28 | — | — | CN | disclosed |
| CN-1515559-A | Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative | - | 2004-07-28 | — | — | CN | disclosed |
| CN-1203228-A | Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives | HOFFMANN LA ROCHE (CH) | 1998-12-30 | — | — | CN | disclosed |