Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.41 |
| ▸ | CDK4 | P11802 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CDK9 | P50750 | 3/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.41 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | CASK | O14936 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | CCNH | P51946 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | MAPK15 | Q8TD08 | 1/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3298928 | 1.00 | CDK1 (0.41) | CDK1CDK4CDK2CDK9CCNT1 | |
| SCHEMBL23683275 | 0.85 | CDK1 (0.41) | CDK1CDK4CDK2CDK9CCNT1 | |
| SCHEMBL20442833 | 0.85 | CDK1 (0.41) | CDK1CDK4CDK2CDK9CCNT1 | |
| SCHEMBL20442841 | 0.82 | SLC6A4 (0.33) | CDK1CDK4CDK2CDK9CCNT1 | |
| SCHEMBL17450144 | 0.80 | AURKA (0.41) | ABL1SRCJAK3 | |
| SCHEMBL3300224 | 0.80 | CDK2 (0.38) | CDK2CDK9CDK7CDK5GSK3A | |
| SCHEMBL3302949 | 0.79 | PDE10A (0.42) | CDK2CDK9ABL1 | |
| SCHEMBL3299442 | 0.78 | CYP1A2 (0.40) | CDK7CDK5GSK3AABL1PTK2 | |
| SCHEMBL29100402 | 0.74 | CDK1 (0.49) | CDK1CDK4CDK2CDK9CCNT1 | |
| SCHEMBL3298449 | 0.74 | CDK2 (0.40) | CDK2CDK9SLC40A1 |
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-116813621-A | 9H purine compounds, pharmaceutical composition and application thereof | 江南大学 | 2023-09-29 | — | — | CN | disclosed |