Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 10/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 10/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 10/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 6/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10000124 | 0.84 | CYP19A1 (0.34) | CYP19A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL700313 | 0.79 | ADRA2A (0.49) | CYP19A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL1638482 | 0.78 | CYP19A1 (0.46) | CYP19A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL10000114 | 0.76 | ADRA2A (0.45) | CYP19A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL3055369 | 0.74 | CYP19A1 (0.44) | CYP19A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL1639685 | 0.74 | ADRA2A (0.42) | CYP19A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL701285 | 0.73 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL3060612 | 0.72 | SLC6A2 (0.46) | CYP19A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL3062666 | 0.72 | ADRA2A (0.40) | CYP19A1ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL13247041 | 0.72 | ADRA2A (0.46) | 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 2 patents. 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 |
| WO-2008147788-A1 | THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS | ALLERGAN, INC. (US) | 2008-12-04 | — | — | WO | disclosed |