Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 6/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28702799 | 0.77 | TK1 (0.54) | CDK1ADORA2AADORA1CCNB1CCNE1 | |
| SCHEMBL129642 | 0.75 | CDK1 (0.68) | CDK1ADORA2AADORA1CCNB1CCNE1 | |
| SCHEMBL28782077 | 0.75 | CDK1 (0.66) | CDK1ADORA2AADORA1CCNB1CCNE1 | |
| SCHEMBL4402870 | 0.74 | CDK1 (0.66) | CDK1ADORA2AADORA1CCNB1CCNE1 | |
| SCHEMBL16256870 | 0.73 | CDK1 (0.64) | CDK1ADORA2AADORA1CCNB1CCNE1 | |
| SCHEMBL14131868 | 0.73 | CDK1 (0.64) | CDK1ADORA2AADORA1CCNB1CCNE1 | |
| SCHEMBL130527 | 0.73 | CDK1 (0.64) | CDK1ADORA2AADORA1CCNB1CCNE1 | |
| SCHEMBL129640 | 0.73 | CDK1 (0.64) | CDK1ADORA2AADORA1CCNB1CCNE1 | |
| SCHEMBL129921 | 0.73 | CDK1 (1.00) | CDK1ADORA2AADORA1YTHDC1 | |
| SCHEMBL12857027 | 0.70 | NFKB1 (0.55) | ADORA2AADORA1YTHDC1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |