Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 10/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 10/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 10/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 6/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3061266 | 0.87 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL3067675 | 0.85 | HRH3 (0.42) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL3051753 | 0.85 | ADRA2A (0.46) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL1637444 | 0.83 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL3070530 | 0.83 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL3062104 | 0.82 | ADRA2A (0.48) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL13089105 | 0.79 | MAPT (0.38) | ADRA2AADRA2BADRA1AADRA1DCYP2D6 | |
| SCHEMBL13247020 | 0.78 | CYP1A2 (0.40) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL3070706 | 0.78 | HRH3 (0.46) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL3017476 | 0.77 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1AADRA1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155715-B1 | ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS | ALLERGAN INC (US) | 2013-03-13 | — | — | EP | disclosed |
| EP-2155715-A1 | ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS | ALLERGAN, INC. (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008141312-A1 | ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS | ALLERGAN, INC. (US) | 2008-11-20 | — | — | WO | disclosed |