Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL30107979 | 0.83 | CDC7 (0.45) | ROCK1ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL30107951 | 0.79 | PTGS1 (0.46) | ADORA2AADORA1PTGS1PTGS2ADORA3 | |
| SCHEMBL12821389 | 0.75 | ROCK1 (1.00) | ROCK1 | |
| SCHEMBL30108043 | 0.74 | ADORA2A (0.41) | ADORA2AADORA1PTGS1PTGS2ADORA3 | |
| SCHEMBL30108066 | 0.73 | ADORA2A (0.44) | ADORA2AADORA1PTGS1PTGS2ADORA3 | |
| SCHEMBL30353576 | 0.70 | ALDH1A1 (0.58) | ROCK1ADORA2AADORA1PTGS1PTGS2 | |
| SCHEMBL1554000 | 0.69 | MAPT (0.58) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL5833573 | 0.67 | ROCK1 (0.64) | ROCK1MEN1POLBMAPTRAB9A | |
| SCHEMBL29876396 | 0.67 | ADORA2A (0.44) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL6442516 | 0.66 | USP2 (0.62) | ADORA2AADORA1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022203399-A1 | ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF | 주식회사 스탠다임 | 2022-09-29 | — | — | WO | disclosed |