Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 7/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 3/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL2724779 | 0.85 | CYP3A4 (0.42) | PDE4ACYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2723287 | 0.68 | CYP3A4 (0.38) | PDE4ACYP17A1CYP3A4 | |
| SCHEMBL4562418 | 0.67 | NT5E (0.34) | — | |
| SCHEMBL2723714 | 0.67 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL16132327 | 0.65 | MAPT (0.43) | PDE4ACYP3A4SYKPDE4BPDE4C | |
| SCHEMBL4562093 | 0.65 | CYP17A1 (0.33) | PDE4ACYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2724416 | 0.64 | CYP3A4 (0.36) | CYP17A1CYP3A4 | |
| SCHEMBL4559039 | 0.63 | CYP17A1 (0.32) | CYP17A1CYP3A4 | |
| SCHEMBL20148779 | 0.62 | SMN1; SMN2 (0.53) | CYP17A1CYP3A4KCNH2 | |
| SCHEMBL18883147 | 0.62 | NT5E (0.31) | — |
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-2632903-A2 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals, Inc. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058529-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-05-03 | — | — | WO | disclosed |