Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6508991 | 0.90 | PARP1 (0.44) | PARP1KDM4EALDH1A1 | |
| SCHEMBL6523130 | 0.83 | ATR (0.44) | PDE3BPDE3A | |
| SCHEMBL6508753 | 0.81 | CHEK1 (0.47) | IDH1KDM4EALDH1A1PDE2A | |
| SCHEMBL6046806 | 0.81 | IDH1 (0.36) | IDH1KDM4EALDH1A1 | |
| SCHEMBL6512957 | 0.81 | KDM4E (0.43) | IDH1KDM4EALDH1A1 | |
| SCHEMBL6510968 | 0.79 | DRD1 (0.33) | PARP1 | |
| SCHEMBL6511000 | 0.78 | PTGS2 (0.46) | PARP1ALDH1A1 | |
| SCHEMBL6510843 | 0.76 | CHEK1 (0.47) | PARP1IDH1ALDH1A1 | |
| SCHEMBL6508818 | 0.72 | CHEK1 (0.39) | IDH1KDM4EALDH1A1 | |
| SCHEMBL6522020 | 0.72 | CHEK1 (0.43) | IDH1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005028474-A2 | PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |