Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 15/20 | 0.52 |
| ▸ | MAOA | P21397 | 6/20 | 0.46 |
| ▸ | MAOB | P27338 | 6/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9440693 | 0.89 | NISCH (0.52) | NISCHMAOAMAOBADRA1AADRA1B | |
| SCHEMBL9440611 | 0.85 | NISCH (0.50) | NISCHMAOAMAOBADRA1AADRA1B | |
| SCHEMBL9440508 | 0.83 | NISCH (0.53) | NISCHMAOAMAOBADRA1AADRA1B | |
| SCHEMBL7854333 | 0.82 | ADRA2B (0.46) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL7859921 | 0.82 | ADRA2B (0.46) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL9440635 | 0.81 | NISCH (0.51) | NISCHMAOAMAOBADRA1AADRA1B | |
| SCHEMBL9440279 | 0.79 | NISCH (0.57) | NISCHMAOAMAOBADRA1AADRA1B | |
| SCHEMBL7860118 | 0.78 | ADRA2B (0.50) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL7860109 | 0.76 | ADRA2B (0.47) | NISCHMAOAMAOBHTR1AADRA2A | |
| SCHEMBL9445174 | 0.75 | NISCH (0.55) | NISCHMAOAMAOBADRA1AADRA1B |
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-0625969-A1 | ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS | MERRELL PHARMACEUTICALS INC. (US) | 1994-11-30 | — | — | EP | disclosed |