Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.53 |
| ▸ | GSK3A | P49840 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL2153847 | 0.87 | HRH3 (0.59) | HRH3CYP11B1CYP11B2CYP19A1GSK3B | |
| SCHEMBL4196662 | 0.85 | HRH3 (0.54) | HRH3CYP11B1CYP11B2CYP19A1GLA | |
| SCHEMBL171388 | 0.83 | HRH3 (0.57) | HRH3CYP11B1CYP11B2CYP19A1NAMPT | |
| SCHEMBL29442890 | 0.83 | HRH3 (0.57) | HRH3CYP11B1CYP11B2CYP19A1NAMPT | |
| SCHEMBL171234 | 0.79 | HRH3 (0.53) | HRH3CYP11B1CYP11B2CYP19A1GSK3A | |
| SCHEMBL481239 | 0.79 | HRH3 (0.49) | HRH3CYP11B1CYP11B2CYP19A1GLA | |
| SCHEMBL26987873 | 0.79 | HRH3 (0.49) | HRH3CYP11B1CYP11B2CYP19A1GSK3B | |
| SCHEMBL18641329 | 0.76 | HRH3 (0.50) | HRH3CYP11B1CYP11B2CYP19A1GLA | |
| SCHEMBL18641315 | 0.75 | LTA4H (0.58) | HRH3GLAIDH1CLK4LTA4H | |
| SCHEMBL28085045 | 0.75 | HRH3 (0.49) | HRH3CYP11B1CYP11B2CYP19A1GLA |
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-2426122-A1 | Methylene urea derivative as RAF kinasse inhibitors | Merck Patent GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |