Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 14/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 14/20 | 0.45 |
| ▸ | CDK2 | P24941 | 14/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 7/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.45 |
| ▸ | CDK9 | P50750 | 7/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.43 |
| ▸ | CDK7 | P50613 | 3/20 | 0.43 |
| ▸ | CCNH | P51946 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30148812 | 0.91 | CDK1 (0.45) | CDK1CDK5CDK5R1CDK2CCNA2 | |
| SCHEMBL30148821 | 0.90 | CDK1 (0.55) | CDK1CDK5CDK5R1CDK2CCNA2 | |
| SCHEMBL28523974 | 0.90 | CDK1 (0.57) | CDK1CDK5CDK5R1CDK2CCNA2 | |
| SCHEMBL30148791 | 0.88 | CDK2 (0.49) | CDK1CDK5CDK5R1CDK2CCNA2 | |
| SCHEMBL30148806 | 0.83 | CDK1 (0.45) | CDK1CDK5CDK5R1CDK2CCNA2 | |
| SCHEMBL30148783 | 0.82 | CDK1 (0.45) | CDK1CDK5CDK5R1CDK2CCNA2 | |
| SCHEMBL30148817 | 0.81 | ADORA3 (0.44) | CDK1CDK2CCNE1TDP1 | |
| SCHEMBL30148784 | 0.79 | CDK1 (0.53) | CDK1CDK5CDK5R1CDK2CCNA2 | |
| SCHEMBL30148790 | 0.78 | KDM4E (0.50) | CDK1CDK5CDK5R1CDK2CCNA2 | |
| SCHEMBL30148782 | 0.78 | YTHDC1 (0.58) | NPC1 |
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-110903289-B | Purine-aminomethyl-pyridone derivative, preparation method and application thereof | 四川大学 | 2023-02-03 | — | — | CN | disclosed |