Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 8/20 | 0.47 |
| ▸ | CDK1 | P06493 | 6/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.45 |
| ▸ | KDM5A | P29375 | 1/20 | 0.45 |
| ▸ | ACVR2A | P27037 | 4/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.41 |
| ▸ | TGFBR2 | P37173 | 4/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL16116775 | 0.82 | ADORA1 (0.56) | KDRCDK1LRRK2KDM5AACVR2A | |
| SCHEMBL29314691 | 0.74 | ADORA1 (0.63) | KDRCDK1ADORA1ADORA2AADORA2B | |
| SCHEMBL29314862 | 0.74 | ADORA1 (0.64) | KDRCDK1ADORA1ADORA2AADORA2B | |
| SCHEMBL29315373 | 0.73 | KDR (0.48) | KDRCDK1ADORA1ADORA2A | |
| SCHEMBL29314680 | 0.72 | KDR (0.45) | KDRCDK1ADORA1ADORA2AADORA2B | |
| SCHEMBL25597187 | 0.70 | IDH1 (0.45) | KDRCDK1LRRK2 | |
| SCHEMBL29314732 | 0.69 | KDR (0.61) | KDRCDK1ADORA1ADORA2A | |
| SCHEMBL23019360 | 0.69 | KDR (0.41) | KDRCDK1ADORA1ADORA2A | |
| SCHEMBL20446788 | 0.69 | AAK1 (0.55) | LRRK2KDM5AACVR2ATGFBR2AAK1 | |
| SCHEMBL29314718 | 0.68 | CYP11B1 (0.48) | KDRCDK1ADORA1ADORA2A |
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 |