Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.63 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.63 |
| ▸ | KDR | P35968 | 7/20 | 0.51 |
| ▸ | CDK1 | P06493 | 4/20 | 0.49 |
| ▸ | CHUK | O15111 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | MERTK | Q12866 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29314862 | 0.78 | ADORA1 (0.64) | ADORA1ADORA2BKDRCDK1ADORA2A | |
| SCHEMBL24478143 | 0.77 | CDK1 (0.62) | KDRCDK1RAB9A | |
| SCHEMBL5451373 | 0.75 | ADORA1 (0.53) | ADORA1ADORA2BADORA2AMERTK | |
| SCHEMBL29315373 | 0.75 | KDR (0.48) | ADORA1KDRCDK1ADORA2AMERTK | |
| SCHEMBL29314783 | 0.74 | KDR (0.47) | ADORA1ADORA2BKDRCDK1ADORA2A | |
| SCHEMBL5452581 | 0.74 | ADORA1 (0.48) | ADORA1ADORA2BADORA2AMERTK | |
| SCHEMBL4221233 | 0.74 | MERTK (0.62) | ADORA1ADORA2BMERTK | |
| SCHEMBL15832010 | 0.73 | ADORA1 (0.49) | ADORA1ADORA2BCHUKADORA2AALDH1A1 | |
| SCHEMBL6033274 | 0.72 | KDR (0.62) | KDRCDK1 | |
| SCHEMBL29314732 | 0.71 | KDR (0.61) | ADORA1KDRCDK1CHUKADORA2A |
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 |