Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 8/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 8/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 8/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 6/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1638483 | 0.88 | ADRA2A (0.43) | CYP19A1SLC6A2CYP2D6KCNH2ADRA2A | |
| SCHEMBL3062595 | 0.87 | CYP19A1 (0.41) | KCNA5CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3062592 | 0.86 | ADRA2A (0.40) | CYP19A1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL13089104 | 0.80 | KCNA5 (0.45) | KCNA5CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13247022 | 0.79 | CYP19A1 (0.39) | KCNA5CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3063952 | 0.79 | HRH3 (0.41) | CYP19A1SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL3064587 | 0.79 | ADRA2A (0.62) | CYP19A1SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL3061266 | 0.79 | ADRA2A (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3060612 | 0.78 | SLC6A2 (0.46) | CYP19A1SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL3061486 | 0.78 | GAA (0.55) | CYP19A1SLC6A2SLC6A4SLC6A3CFTR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101743240-B | ((phenyl) imidazolyl) methyl heteroaryl compounds | ALLERGAN INC | 2013-07-17 | — | — | CN | disclosed |
| 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 |