Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 15/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11011479 | 0.92 | AMY1A (0.34) | CYP17A1PDE5A | |
| SCHEMBL11010174 | 0.89 | CYP17A1 (0.39) | CYP17A1PDE5APDE3BPDE3APDE7A | |
| SCHEMBL11005543 | 0.84 | ENPP1 (0.46) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11009498 | 0.84 | PDE10A (0.38) | CYP17A1PDE5APDE3BPDE3APDE7A | |
| SCHEMBL11008331 | 0.83 | ENPP1 (0.41) | CYP17A1PDE5APDE3BPDE3APDE7A | |
| SCHEMBL11004488 | 0.83 | MAOB (0.40) | PDE5APDE3BPDE3A | |
| SCHEMBL11010059 | 0.82 | CYP17A1 (0.40) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11010093 | 0.81 | PDE5A (0.35) | CYP17A1PDE5APDE3BPDE3AAAK1 | |
| SCHEMBL11009966 | 0.81 | PIK3CD (0.35) | CYP17A1PDE5A | |
| SCHEMBL11009531 | 0.81 | PDE5A (0.35) | CYP17A1PDE5APDE3BPDE3AAAK1 |
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-0142075-A2 | Purine derivatives, their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1985-05-22 | — | — | EP | disclosed |