Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | USP1 | O94782 | 1/20 | 0.33 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.31 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | PBK | Q96KB5 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21174144 | 0.84 | HCRTR1 (0.40) | ADORA1HCRTR1HCRTR2SYKUSP1 | |
| SCHEMBL21174371 | 0.73 | PI4KB (0.43) | ADORA1HCRTR1HCRTR2PBK | |
| SCHEMBL21174216 | 0.71 | ADORA1 (0.41) | ADORA1HCRTR1HCRTR2PBKCYP3A4 | |
| SCHEMBL21174114 | 0.69 | ADORA1 (0.39) | ADORA1ADORA3PBKCYP3A4 | |
| SCHEMBL21174050 | 0.69 | CTSD (0.40) | ADORA1HCRTR1HCRTR2PBKCYP3A4 | |
| SCHEMBL27376729 | 0.69 | ADORA1 (0.33) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL21174326 | 0.69 | CYP4Z1 (0.44) | ADORA1 | |
| SCHEMBL27374784 | 0.64 | ALDH1A1 (0.46) | ADORA1ADORA2BPRKCQADORA2A | |
| SCHEMBL31456923 | 0.64 | ALDH1A1 (0.46) | ADORA1ADORA2BPRKCQADORA2A | |
| SCHEMBL27377099 | 0.63 | KDM5B (0.31) | — |
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-3514149-B1 | HETEROCYCLIC AMIDE COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2022-05-18 | — | — | EP | disclosed |