Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.37 |
| ▸ | RORA | P35398 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | RORB | Q92753 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6525478 | 0.87 | CHEK1 (0.36) | CNR2CHEK1 | |
| SCHEMBL6516690 | 0.85 | CHEK1 (0.42) | CNR2CHEK1KCNH2KDM4EHSD17B10 | |
| SCHEMBL6511027 | 0.80 | ATR (0.42) | CNR2CHEK1 | |
| SCHEMBL6511094 | 0.80 | CHEK1 (0.41) | CNR2CHEK1KDM4EHSD17B10NPSR1 | |
| SCHEMBL6522000 | 0.79 | CHEK1 (0.41) | CNR2CHEK1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL6514165 | 0.78 | CHEK1 (0.39) | CNR2CHEK1KDM4EHSD17B10NPSR1 | |
| SCHEMBL6514903 | 0.78 | HTR2C (0.37) | CNR2CHEK1RORARORCNR1H2 | |
| SCHEMBL6515376 | 0.78 | MAPT (0.41) | CNR2CHEK1LMNAMAPT | |
| SCHEMBL6511866 | 0.77 | CHEK1 (0.38) | CNR2CHEK1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL6522817 | 0.77 | CHEK1 (0.39) | CNR2CHEK1KDM4EHSD17B10NPSR1 |
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 |