Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | VNN1 | O95497 | 7/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 5/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | BTD | P43251 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL29313537 | 0.85 | PTK2 (0.56) | PTK2PTK2BHDAC3HDAC1HDAC2 | |
| SCHEMBL29313621 | 0.84 | PTK2 (0.41) | PTK2PTK2BAURKASYKPRKCQ | |
| SCHEMBL29313606 | 0.81 | PTK2 (0.40) | PTK2PTK2BAURKASYKEGFR | |
| SCHEMBL29313542 | 0.81 | ALDH1A1 (0.54) | HDAC3HDAC1HDAC2HDAC6VNN1 | |
| SCHEMBL29313615 | 0.80 | VNN1 (0.47) | PTK2PTK2BAURKAVNN1SYK | |
| SCHEMBL29315097 | 0.77 | MAP3K8 (0.43) | PTK2PTK2BAURKASYKPRKCQ | |
| SCHEMBL29315070 | 0.76 | MAP3K8 (0.45) | PTK2PTK2BAURKASYKPRKCQ | |
| SCHEMBL29313773 | 0.75 | CCNA2 (0.46) | AURKASYKEGFRPRKCQLRRK2 | |
| SCHEMBL29315063 | 0.73 | LRRK2 (0.35) | AURKASYKPRKCQPRKCDLRRK2 | |
| SCHEMBL29314042 | 0.71 | NUDT1 (0.45) | AURKASYKPRKCQPRKCDLRRK2 |
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 |