Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 16/20 | 0.45 |
| ▸ | CDK7 | P50613 | 11/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | ITK | Q08881 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28770433 | 0.96 | CHEK1 (0.47) | CHEK1CDK7PPARGITK | |
| SCHEMBL5055582 | 0.85 | CHEK1 (0.62) | CHEK1CDK7ITK | |
| SCHEMBL27708456 | 0.84 | CHEK1 (0.46) | CHEK1CDK7ITK | |
| SCHEMBL27688765 | 0.84 | ITK (0.41) | ITK | |
| SCHEMBL5051837 | 0.83 | CHEK1 (0.62) | CHEK1CDK7ITK | |
| SCHEMBL5054005 | 0.82 | CHEK1 (0.62) | CHEK1CDK7ITK | |
| SCHEMBL27688782 | 0.82 | PPARG (0.54) | CHEK1CDK7PPARGITK | |
| SCHEMBL28770034 | 0.81 | CHEK1 (0.44) | CHEK1CDK7PPARGITK | |
| SCHEMBL5054077 | 0.81 | CHEK1 (0.64) | CHEK1CDK7ITK | |
| SCHEMBL28770432 | 0.80 | CHEK1 (0.47) | CHEK1CDK7ITK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101115724-A | Inhibitors of checkpoint kinases | MERCK & CO INC (US) | 2008-01-30 | — | — | CN | claimed |
| CN-101115724-A | Inhibitors of checkpoint kinases | MERCK & CO INC (US) | 2008-01-30 | — | — | CN | disclosed |