Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 17/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL11237474 | 0.84 | CYP17A1 (0.42) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11010061 | 0.84 | PDE2A (0.41) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11005537 | 0.82 | CYP17A1 (0.39) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11004488 | 0.80 | MAOB (0.40) | PDE5APDE3BPDE3A | |
| SCHEMBL11009531 | 0.79 | PDE5A (0.35) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11010093 | 0.78 | PDE5A (0.35) | CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11356780 | 0.78 | AMY1A (0.47) | CYP17A1PDE5APDE3BPDE3ASCN9A | |
| SCHEMBL11011297 | 0.76 | IMPDH2 (0.45) | PDE5APDE3BPDE3A | |
| SCHEMBL11237399 | 0.76 | PDE2A (0.51) | CYP17A1PDE5APDE3BPDE3A | |
| Hydrochloric Acid SCHEMBL11353296 | 0.76 | GUSB (0.38) | CYP17A1PDE5A |
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 |