Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 6/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.31 |
| ▸ | ULK1 | O75385 | 1/20 | 0.31 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17822137 | 0.78 | CDK2 (0.58) | CDK1CDK2TNIKKDM4EALDH1A1 | |
| SCHEMBL4551624 | 0.76 | FLT3 (0.44) | CDK1CDK2ALDH1A1HPGD | |
| SCHEMBL165738 | 0.74 | ROCK1 (0.45) | CDK1CDK2KDM4E | |
| SCHEMBL3026520 | 0.73 | CDK2 (0.60) | CDK1CDK2 | |
| SCHEMBL4480587 | 0.70 | KDM4E (0.33) | CDK1CDK2KDM4EALDH1A1GLA | |
| SCHEMBL28506082 | 0.70 | — | — | |
| SCHEMBL5828206 | 0.70 | KDM4E (0.36) | CDK1CDK2KDM4EALDH1A1GLA | |
| SCHEMBL30850504 | 0.70 | EGFR (0.36) | CDK1CDK2ULK1KDM4EALDH1A1 | |
| SCHEMBL30677393 | 0.70 | KDM4E (0.36) | CDK1CDK2KDM4EALDH1A1GLA | |
| SCHEMBL5072697 | 0.70 | EGFR (0.36) | CDK1CDK2ULK1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016091916-A1 | PYRAZOLYLAMINOPURINES AS ITK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-16 | — | — | WO | disclosed |
| WO-2016091916-A1 | PYRAZOLYLAMINOPURINES AS ITK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-16 | — | — | WO | disclosed |