Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 3/20 | 0.37 |
| ▸ | XDH | P47989 | 3/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | MYLK | Q15746 | 1/20 | 0.32 |
| ▸ | WEE1 | P30291 | 2/20 | 0.32 |
| ▸ | SCARB1 | Q8WTV0 | 1/20 | 0.32 |
| ▸ | PARG | Q86W56 | 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 | |
|---|---|---|---|---|
| SCHEMBL6523707 | 0.88 | TOP1 (0.41) | TOP1MPOXDHCHEK1CNR2 | |
| SCHEMBL6507186 | 0.72 | HTR2C (0.41) | TOP1CHEK1CNR2BACE1 | |
| SCHEMBL6511094 | 0.71 | CHEK1 (0.41) | CHEK1CNR2 | |
| SCHEMBL6515376 | 0.69 | MAPT (0.41) | CHEK1CNR2 | |
| SCHEMBL6514701 | 0.69 | CHEK1 (0.36) | TOP1CHEK1CNR2BACE1 | |
| SCHEMBL6522000 | 0.69 | CHEK1 (0.41) | CHEK1CNR2 | |
| SCHEMBL6517699 | 0.69 | ATR (0.39) | CHEK1CNR2 | |
| SCHEMBL6514903 | 0.69 | HTR2C (0.37) | CHEK1CNR2BACE1 | |
| Hydrochloric Acid SCHEMBL6530449 | 0.69 | CHEK1 (0.59) | TOP1MPOXDHCHEK1WEE1 | |
| SCHEMBL6516690 | 0.68 | CHEK1 (0.42) | TOP1CHEK1CNR2 |
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 |