Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30108049 | 0.88 | TSHR (0.45) | ADORA2AADORA1ADORA2BALDH1A1KDM4E | |
| SCHEMBL30108043 | 0.86 | ADORA2A (0.41) | ADORA2AADORA1DHFRADORA2BALDH1A1 | |
| SCHEMBL30107964 | 0.85 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BADORA3CSNK1A1 | |
| SCHEMBL30108022 | 0.78 | SLC6A2 (0.37) | ADORA2AADORA1MAPK10 | |
| SCHEMBL30107959 | 0.75 | KDM4E (0.44) | ADORA2AADORA1ADORA2BALDH1A1KDM4E | |
| SCHEMBL30108063 | 0.73 | KDM4E (0.40) | ADORA2AADORA1ADORA2BALDH1A1KDM4E | |
| SCHEMBL30107979 | 0.73 | CDC7 (0.45) | ADORA2AADORA1ADORA2BADORA3CSNK1A1 | |
| SCHEMBL30107942 | 0.72 | ADORA2A (0.47) | ADORA2AADORA1ADORA2BALDH1A1KDM4E | |
| SCHEMBL30108066 | 0.71 | ADORA2A (0.44) | ADORA2AADORA1ADORA2BALDH1A1KDM4E | |
| SCHEMBL30107978 | 0.71 | KDM4E (0.44) | ADORA2AADORA1ADORA2BALDH1A1KDM4E |
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 |