Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.64 |
| ▸ | KDR | P35968 | 9/20 | 0.57 |
| ▸ | CDK1 | P06493 | 6/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.42 |
| ▸ | MERTK | Q12866 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29315373 | 0.82 | KDR (0.48) | ADORA1KDRCDK1ADORA2AALDH1A1 | |
| SCHEMBL29314691 | 0.78 | ADORA1 (0.63) | ADORA1KDRCDK1ADORA2AADORA2B | |
| SCHEMBL20764165 | 0.78 | ADORA1 (0.53) | ADORA1KDRCDK1ADORA2AADORA2B | |
| SCHEMBL6033927 | 0.75 | KDR (0.61) | KDRCDK1ADORA2AADORA2B | |
| SCHEMBL29314718 | 0.75 | CYP11B1 (0.48) | ADORA1KDRCDK1ADORA2AALDH1A1 | |
| SCHEMBL6034180 | 0.74 | KDR (0.56) | KDRCDK1 | |
| SCHEMBL6034534 | 0.74 | MAPK10 (0.55) | ADORA1KDRCDK1ADORA2AADORA2B | |
| SCHEMBL29314783 | 0.74 | KDR (0.47) | ADORA1KDRCDK1ADORA2AADORA2B | |
| SCHEMBL29314680 | 0.74 | KDR (0.45) | ADORA1KDRCDK1ADORA2AADORA2B | |
| SCHEMBL29314732 | 0.73 | KDR (0.61) | ADORA1KDRCDK1ADORA2A |
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 |