Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.59 |
| ▸ | CDK7 | P50613 | 9/20 | 0.54 |
| ▸ | ITK | Q08881 | 5/20 | 0.40 |
| ▸ | BTK | Q06187 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27688741 | 0.87 | CHEK1 (0.43) | CHEK1CDK7ITKBTK | |
| SCHEMBL27708445 | 0.85 | CHEK1 (0.55) | CHEK1CDK7ITKBTK | |
| SCHEMBL5054096 | 0.84 | CHEK1 (0.70) | CHEK1CDK7ITKBTKALDH1A1 | |
| SCHEMBL27688761 | 0.84 | CHEK1 (0.79) | CHEK1CDK7 | |
| SCHEMBL5054032 | 0.83 | CHEK1 (0.57) | CHEK1CDK7ITKBTKALDH1A1 | |
| SCHEMBL28770040 | 0.78 | ITK (0.42) | ITKBTK | |
| SCHEMBL27688765 | 0.76 | ITK (0.41) | ITKBTK | |
| SCHEMBL27688840 | 0.76 | ITK (0.40) | CHEK1ITKBTK | |
| SCHEMBL27708454 | 0.76 | ITK (0.40) | ITKBTK | |
| SCHEMBL5054031 | 0.75 | CHEK1 (0.44) | CHEK1CDK7ITKALDH1A1LMNA |
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 |