Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 9/20 | 0.56 |
| ▸ | CDK4 | P11802 | 8/20 | 0.56 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.56 |
| ▸ | CCND1 | P24385 | 8/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.56 |
| ▸ | CDK2 | P24941 | 8/20 | 0.56 |
| ▸ | CCND3 | P30281 | 8/20 | 0.56 |
| ▸ | CDK6 | Q00534 | 8/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.56 |
| ▸ | CDK7 | P50613 | 6/20 | 0.56 |
| ▸ | CDK9 | P50750 | 6/20 | 0.56 |
| ▸ | CCNH | P51946 | 6/20 | 0.56 |
| ▸ | MNAT1 | P51948 | 6/20 | 0.56 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 5/20 | 0.39 |
| ▸ | TYK2 | P29597 | 5/20 | 0.39 |
| ▸ | JAK1 | P23458 | 4/20 | 0.39 |
| ▸ | STAT3 | P40763 | 4/20 | 0.39 |
| ▸ | JAK3 | P52333 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22900917 | 0.80 | CDK2 (0.64) | CDK1CDK4CCNB1CCND1CCNE1 | |
| SCHEMBL29314803 | 0.80 | CDK1 (0.46) | CDK1CDK4CCNB1CCND1CCNE1 | |
| SCHEMBL22900888 | 0.73 | CCNE1 (1.00) | CDK1CDK4CCNB1CCND1CCNE1 | |
| SCHEMBL22901170 | 0.71 | CDK2 (1.00) | CDK1CDK4CCNB1CCND1CCNE1 | |
| SCHEMBL29315373 | 0.70 | KDR (0.48) | CDK1CDK2CCNT1CDK9KDR | |
| SCHEMBL30291185 | 0.69 | CDK1 (0.53) | CDK1CDK4CCNB1CCND1CCNE1 | |
| SCHEMBL30291202 | 0.68 | CDK1 (0.58) | CDK1CDK4CCNB1CCND1CCNE1 | |
| SCHEMBL29314691 | 0.67 | ADORA1 (0.63) | CDK1KDRADORA2AADORA1 | |
| SCHEMBL4561626 | 0.67 | LRRK2 (0.60) | LRRK2 | |
| SCHEMBL29314862 | 0.66 | ADORA1 (0.64) | CDK1KDRADORA2AADORA1 |
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-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |