Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 6/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 2/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | YES1 | P07947 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7058543 | 0.95 | CHEK1 (0.50) | CHEK1MAP4K4HDAC6IKBKBHSD17B1 | |
| SCHEMBL7055165 | 0.91 | CHEK1 (0.54) | CHEK1MAP4K4IKBKBKDM4EALDH1A1 | |
| SCHEMBL7055235 | 0.83 | CHEK1 (0.62) | CHEK1MAP4K4HDAC6IKBKBKDM4E | |
| SCHEMBL7059399 | 0.81 | PTPN1 (0.53) | CHEK1MAP4K4IKBKBKDM4EALDH1A1 | |
| SCHEMBL7055995 | 0.80 | CHEK1 (0.62) | CHEK1MAP4K4HDAC6IKBKBALDH1A1 | |
| SCHEMBL7058336 | 0.78 | CHEK1 (0.66) | CHEK1MAP4K4IKBKBKDM4EALDH1A1 | |
| SCHEMBL7055932 | 0.78 | CHEK1 (0.59) | CHEK1MAP4K4HDAC6IKBKBKDM4E | |
| SCHEMBL7052328 | 0.77 | CHEK1 (0.78) | CHEK1MAP4K4IKBKBKDM4EMAPT | |
| SCHEMBL7051467 | 0.76 | CHEK1 (0.56) | CHEK1MAP4K4IKBKBKDM4EMAPT | |
| SCHEMBL7050462 | 0.74 | CHEK1 (0.54) | CHEK1MAP4K4HDAC6IKBKBALDH1A1 |
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-2003029241-A1 | CHK1 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-04-10 | — | — | WO | disclosed |