Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PRUNE1 | Q86TP1 | 1/20 | 0.37 |
| ▸ | SLC26A6 | Q9BXS9 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 3/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6205608 | 0.87 | PARP1 (0.36) | PARP1PRUNE1SLC26A6HTTSMN1; SMN2 | |
| SCHEMBL6202754 | 0.83 | CDK5 (0.43) | PRUNE1SMN1; SMN2CCNE2CCNE1CDK2 | |
| SCHEMBL3445269 | 0.78 | CDK2 (0.49) | SMN1; SMN2AURKACCNE2CCNE1CDK2 | |
| SCHEMBL6203167 | 0.76 | CCNE1 (0.41) | PRUNE1AURKACCNE2CCNE1CDK2 | |
| SCHEMBL3445688 | 0.76 | CDK2 (0.42) | PARP1SLC26A6AURKARPS6KB1CCNE1 | |
| SCHEMBL3446440 | 0.76 | CDK1 (0.47) | PARP1CCNE1CDK2MAPT | |
| SCHEMBL3445488 | 0.76 | PARP1 (0.38) | PARP1SLC26A6AURKARPS6KB1CCNE2 | |
| SCHEMBL6203494 | 0.75 | PRUNE1 (0.40) | PRUNE1CCNE2CCNE1CDK2PDE4D | |
| SCHEMBL3444310 | 0.73 | CDK1 (0.55) | — | |
| SCHEMBL6205408 | 0.73 | PRUNE1 (0.35) | PRUNE1LMNA |
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-1539760-A2 | AZAPURINE DERIVATIVES | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018473-A2 | AZAPURINE DERIVATIVES | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2004-03-04 | — | — | WO | disclosed |