Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 8/20 | 0.54 |
| ▸ | KDR | P35968 | 12/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5081983 | 0.83 | CHEK1 (0.53) | CHEK1KDR | |
| SCHEMBL5076155 | 0.79 | CHEK1 (0.49) | CHEK1KDR | |
| SCHEMBL141946 | 0.79 | CHEK1 (0.59) | CHEK1KDR | |
| SCHEMBL5078001 | 0.78 | CHEK1 (0.52) | CHEK1KDR | |
| SCHEMBL5076160 | 0.77 | CHEK1 (0.59) | CHEK1KDR | |
| SCHEMBL5079421 | 0.77 | KDR (0.58) | CHEK1KDR | |
| SCHEMBL14012853 | 0.76 | CHEK1 (0.53) | CHEK1KDR | |
| SCHEMBL5076086 | 0.75 | KDR (0.54) | CHEK1KDR | |
| SCHEMBL175100 | 0.75 | CHEK1 (0.53) | CHEK1KDR | |
| SCHEMBL175099 | 0.75 | CHEK1 (0.53) | CHEK1KDR |
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 |
|---|---|---|---|---|---|---|---|
| US-6306874-B1 | ENZYME INHIBITORS SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, AND THE LIKE IN MAMMALS. | MERCK & CO., INC. | 2001-10-23 | — | — | US | disclosed |