Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.61 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.61 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.61 |
| ▸ | CDK2 | P24941 | 2/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.51 |
| ▸ | PI4KA | P42356 | 1/20 | 0.51 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.51 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.51 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.51 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29387777 | 0.90 | ADORA2A (0.55) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL29388387 | 0.88 | CDK1 (0.65) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL24701510 | 0.88 | CDK1 (0.48) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL22580557 | 0.88 | ADORA2A (0.57) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL21279533 | 0.87 | SLC29A1 (0.47) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL29386323 | 0.87 | ADORA2A (0.52) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL21279729 | 0.87 | ADORA2A (0.51) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL29386253 | 0.85 | ADORA2A (0.51) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| Hydrochloric Acid SCHEMBL29388699 | 0.85 | SLC29A1 (0.46) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL1286257 | 0.84 | ADORA2A (0.63) | 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 3 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-3752506-B1 | PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS | UNIV LIEGE (BE) | 2022-12-14 | — | — | EP | disclosed |
| 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 |