Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.67 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.67 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.67 |
| ▸ | CDK2 | P24941 | 2/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.55 |
| ▸ | PI4KA | P42356 | 1/20 | 0.55 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.55 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.55 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL29388387 | 0.86 | CDK1 (0.65) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL24701698 | 0.84 | CDK1 (0.61) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL21282838 | 0.81 | CDK1 (0.46) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL19503597 | 0.81 | CDK1 (0.45) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL19503305 | 0.81 | CDK1 (0.45) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL19553855 | 0.80 | ADORA2A (0.53) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL7205020 | 0.80 | PDE4A (0.62) | CDK1ADORA2AADORA1PI4KAPI4K2B | |
| SCHEMBL8767031 | 0.80 | CCNE1 (1.00) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL14619182 | 0.79 | CDK1 (0.60) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL5161756 | 0.79 | CDK1 (0.73) | CDK1CCNB1CCNE1CDK2ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3955929-A1 | NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING | Université de Liège (BE) | 2022-02-23 | — | — | EP | claimed |
| EP-3955929-A1 | NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING | Université de Liège (BE) | 2022-02-23 | — | — | EP | disclosed |