Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 14/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11003251 | 0.91 | CYP17A1 (0.39) | ENPP1AAK1CYP17A1IMPDH2IMPDH1 | |
| SCHEMBL11008335 | 0.86 | ENPP1 (0.52) | ENPP1AAK1CYP17A1IMPDH2IMPDH1 | |
| SCHEMBL11010174 | 0.83 | CYP17A1 (0.39) | AAK1CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11005537 | 0.83 | CYP17A1 (0.39) | AAK1CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11003319 | 0.82 | PDK2 (0.39) | PDE5APDE3BPDE3A | |
| SCHEMBL11009498 | 0.82 | PDE10A (0.38) | AAK1CYP17A1PDE5APDE3BPDE3A | |
| SCHEMBL11012150 | 0.81 | HPGD (0.42) | ENPP1PDE5APDE3BPDE3A | |
| SCHEMBL11010226 | 0.81 | AAK1 (0.42) | ENPP1AAK1CYP17A1IMPDH2IMPDH1 | |
| SCHEMBL11006162 | 0.79 | CDK4 (0.43) | PDE5APDE3BPDE3A | |
| SCHEMBL11003254 | 0.78 | ENPP1 (0.47) | ENPP1AAK1CYP17A1IMPDH2IMPDH1 |
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 |