Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 6/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.43 |
| ▸ | CCND1 | P24385 | 6/20 | 0.43 |
| ▸ | CDK2 | P24941 | 6/20 | 0.43 |
| ▸ | CCND3 | P30281 | 6/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 3/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11011297 | 0.86 | IMPDH2 (0.45) | PDE5APDE3BPDE3APDE2A | |
| SCHEMBL11237399 | 0.86 | PDE2A (0.51) | PDE5APDE3BPDE3AKMT2AGAA | |
| SCHEMBL11356780 | 0.85 | AMY1A (0.47) | PDE5APDE3BPDE3A | |
| SCHEMBL10689035 | 0.82 | ESR1 (0.42) | CDK4CCNA2CCND1CDK2CCND3 | |
| SCHEMBL10962015 | 0.82 | ESR1 (0.36) | CDK4CCNA2CCND1CDK2CCND3 | |
| SCHEMBL4839233 | 0.81 | ESR1 (0.41) | CDK4CCNA2CCND1CDK2CCND3 | |
| SCHEMBL11237474 | 0.81 | CYP17A1 (0.42) | CDK4CCNA2CCND1CDK2CCND3 | |
| SCHEMBL11228926 | 0.81 | PDE5A (0.38) | PDE5APDE3BPDE3AKMT2APDE2A | |
| SCHEMBL10869538 | 0.81 | SLC2A1 (0.44) | PDE5APDGFRBPDGFRAKMT2AGAA | |
| SCHEMBL10749457 | 0.80 | PDE2A (0.50) | CDK4CCNA2CCND1CDK2CCND3 |
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 |