Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 19/20 | 0.49 |
| ▸ | CDK7 | P50613 | 4/20 | 0.42 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL5133487 | 0.81 | CHEK1 (0.49) | CHEK1CDK7 | |
| SCHEMBL3050582 | 0.80 | AURKA (0.50) | CHEK1KDR | |
| SCHEMBL5132450 | 0.79 | CHEK1 (0.47) | CHEK1CDK7 | |
| SCHEMBL3856005 | 0.78 | CHEK1 (0.58) | CHEK1CDK7 | |
| SCHEMBL5132488 | 0.77 | CHEK1 (0.56) | CHEK1CDK7 | |
| SCHEMBL3857300 | 0.77 | CHEK1 (0.51) | CHEK1CDK7 | |
| SCHEMBL5132049 | 0.76 | CHEK1 (0.59) | CHEK1CDK7 | |
| SCHEMBL5132784 | 0.76 | CHEK1 (0.68) | CHEK1CDK7 | |
| SCHEMBL3837346 | 0.75 | CHEK1 (0.54) | CHEK1CDK7 | |
| Hydrochloric Acid SCHEMBL3047652 | 0.74 | AURKA (0.49) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |