Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ULK1 | O75385 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1937104 | 0.79 | MKNK1 (0.52) | PAK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL1937349 | 0.77 | MKNK1 (0.50) | PAK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL26045352 | 0.76 | ULK1 (0.67) | PAK1ULK1ADORA1KMT2APDE4A | |
| SCHEMBL1935467 | 0.75 | MAPK1 (0.47) | PAK1ULK1MAPK1MKNK1MKNK2 | |
| SCHEMBL5567563 | 0.75 | ULK1 (0.65) | PAK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL20430301 | 0.75 | ULK1 (0.65) | PAK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL20430303 | 0.75 | ULK1 (0.65) | PAK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL12237657 | 0.74 | KDM4E (0.59) | PAK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL5519304 | 0.74 | CDK2 (0.50) | PAK1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL1976634 | 0.73 | KMT2A (0.65) | KDM4EULK1ADORA1KMT2APDE4A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109206373-B | Preparation process of palbociclib intermediate 5-bromo-2-chloro-4-cyclopentylamino pyrimidine | 上海医药工业研究院 | 2022-02-15 | — | — | CN | disclosed |