Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.50 |
| ▸ | CCND1 | P24385 | 1/20 | 0.50 |
| ▸ | BTK | Q06187 | 3/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL611331 | 0.88 | CDK4 (0.49) | CDK4CCND1BTKMELK | |
| SCHEMBL611330 | 0.88 | CDK4 (0.49) | CDK4CCND1BTKMELK | |
| SCHEMBL1393129 | 0.80 | CDK4 (0.54) | CDK4CCND1BTKMELK | |
| SCHEMBL18872599 | 0.78 | FASN (0.45) | CDK4CCND1BTK | |
| SCHEMBL29398395 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL1848739 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL1848736 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL12650332 | 0.72 | HPGD (0.51) | CDK4BTK | |
| SCHEMBL5249340 | 0.72 | CHRNA7 (0.62) | — | |
| SCHEMBL29173751 | 0.72 | CHRNA7 (0.62) | — |
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-2744804-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2017-05-17 | — | — | EP | disclosed |