Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 2/20 | 0.32 |
| ▸ | STK17B | O94768 | 1/20 | 0.32 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2061777 | 0.78 | STK17A (0.47) | CDK1CCNB1CCNE1CDK2CA2 | |
| SCHEMBL15904238 | 0.77 | PDE10A (0.35) | CDK1CCNB1CCNE1CDK2CA2 | |
| SCHEMBL28042368 | 0.70 | PGK1 (0.34) | CDK1CCNB1CCNE1CDK2CA2 | |
| SCHEMBL27992091 | 0.67 | DYRK1A (0.30) | — | |
| SCHEMBL13648562 | 0.66 | AURKA (0.68) | CDK1CCNB1CCNE1CDK2CA2 | |
| SCHEMBL4058941 | 0.65 | CA2 (0.78) | CDK1CCNB1CCNE1CDK2CA2 | |
| SCHEMBL13648659 | 0.64 | NTRK1 (0.61) | CDK1CCNB1CCNE1CDK2CA2 | |
| SCHEMBL13648989 | 0.64 | NUDT1 (0.38) | CDK1CCNB1CCNE1CDK2CA2 | |
| SCHEMBL5407960 | 0.63 | CYP1A2 (0.30) | — | |
| SCHEMBL31504533 | 0.63 | — | — |
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-105008346-A | Novel pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors | PALOBIOFARMA SL | 2015-10-28 | — | — | CN | disclosed |