Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.58 |
| ▸ | CDK1 | P06493 | 7/20 | 0.50 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CDK7 | P50613 | 1/20 | 0.50 |
| ▸ | CDK9 | P50750 | 1/20 | 0.50 |
| ▸ | CCNH | P51946 | 1/20 | 0.50 |
| ▸ | POLA1 | P09884 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.34 |
| ▸ | MAP3K6 | O95382 | 1/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.30 |
| ▸ | SCD | O00767 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17822136 | 0.78 | CDK1 (0.34) | CDK2CDK1ALDH1A1KDM4ETNIK | |
| SCHEMBL8855120 | 0.77 | CDK2 (0.67) | CDK2CDK1CCNT1CCNB1CDK7 | |
| SCHEMBL6446927 | 0.74 | CDK2 (1.00) | CDK2CDK1CCNT1CCNB1CDK7 | |
| SCHEMBL31346834 | 0.73 | CDK2 (0.62) | CDK2CDK1CCNT1CCNB1CDK7 | |
| SCHEMBL27491045 | 0.72 | CDK2 (0.73) | CDK2CDK1CCNT1CCNB1CDK7 | |
| SCHEMBL183276 | 0.71 | ALDH1A1 (0.46) | CDK2CDK1CCNT1CCNB1CDK7 | |
| SCHEMBL5828213 | 0.71 | CDK2 (0.58) | CDK2CDK1CCNT1CCNB1CDK7 | |
| SCHEMBL3421971 | 0.71 | CDK2 (0.58) | CDK2CDK1CCNT1CCNB1CDK7 | |
| SCHEMBL5072707 | 0.71 | CDK2 (0.58) | CDK2CDK1CCNT1CCNB1CDK7 | |
| SCHEMBL9356697 | 0.71 | CDK2 (0.58) | CDK2CDK1CCNT1CCNB1CDK7 |
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 |