Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 3/20 | 0.32 |
| ▸ | KDR | P35968 | 3/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | INSR | P06213 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4464801 | 0.74 | DHFR (0.42) | ADORA1FGFR1 | |
| SCHEMBL18356737 | 0.70 | ADORA1 (0.71) | ADORA1ADORA2ACDK1KDRCHUK | |
| SCHEMBL1579901 | 0.69 | ADORA2A (0.51) | ADORA1ADORA2ACSNK1A1CLK4CDK4 | |
| SCHEMBL3361914 | 0.68 | ADORA2A (0.51) | ADORA1ADORA2A | |
| SCHEMBL15722386 | 0.66 | ADORA2A (0.43) | ADORA1ADORA2ALRRK2CHUKCDK2 | |
| SCHEMBL6034022 | 0.66 | ADORA1 (1.00) | ADORA1ADORA2ACDK1KDRCHUK | |
| SCHEMBL23019354 | 0.66 | TRPA1 (0.56) | ADORA1ADORA2ACLK4KDRROCK2 | |
| SCHEMBL29313431 | 0.66 | ADORA2A (0.60) | ADORA1ADORA2ACSNK1A1CLK4CDK1 | |
| SCHEMBL263835 | 0.65 | CSNK1A1 (0.64) | ADORA1ADORA2ACSNK1A1CLK4P2RX3 | |
| SCHEMBL6446312 | 0.65 | ADORA2A (0.57) | ADORA1ADORA2AP2RX3P2RX2KDM4E |
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 |