Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 12/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.33 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.33 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.33 |
| ▸ | RPS6KA6 | Q9UK32 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL948893 | 0.91 | KLKB1 (0.40) | KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1 | |
| SCHEMBL951027 | 0.86 | KLKB1 (0.38) | KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1 | |
| SCHEMBL949246 | 0.84 | SMN1; SMN2 (0.38) | KLKB1CHEK1RPS6KA3RPS6KA2RPS6KA1 | |
| SCHEMBL947608 | 0.84 | RPS6KA2 (0.41) | RPS6KA3RPS6KA2RPS6KA1RPS6KA6ALDH1A1 | |
| SCHEMBL949629 | 0.83 | MAPT (0.38) | KLKB1PLA2G1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12946245 | 0.83 | CHEK1 (0.48) | CHEK1 | |
| SCHEMBL950898 | 0.83 | KLKB1 (0.45) | KLKB1RPS6KA3RPS6KA2RPS6KA1RPS6KA6 | |
| SCHEMBL947940 | 0.83 | MAPT (0.39) | KLKB1RPS6KA2PLA2G1BCYP1A2CYP3A4 | |
| SCHEMBL948841 | 0.83 | CHEK1 (0.51) | KLKB1CHEK1 | |
| SCHEMBL949304 | 0.82 | CHEK1 (0.52) | KLKB1CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2294065-B1 | INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY | VERNALIS R&D LTD (GB) | 2014-03-19 | — | — | EP | disclosed |