Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 7/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 7/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | CFTR | P13569 | 1/20 | 0.30 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10000116 | 0.81 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL10000109 | 0.79 | ADRA2A (0.35) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL700313 | 0.79 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL10000120 | 0.78 | ADRA2A (0.34) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL13246993 | 0.72 | HRH3 (0.43) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL13267921 | 0.72 | HRH3 (0.34) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL13247041 | 0.72 | ADRA2A (0.46) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL13247040 | 0.71 | ADRA2A (0.45) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL13247025 | 0.69 | HRH3 (0.35) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL10316450 | 0.69 | ADRA2A (0.38) | ADRA2AADRA2BADRA2CADRA1AADRA1D |
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-2160386-B1 | THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS | ALLERGAN INC (US) | 2012-07-11 | — | — | EP | disclosed |