Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 4/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21481599 | 0.84 | ADORA2A (0.39) | ADORA2AADORA1NT5EPKMMERTK | |
| SCHEMBL30095986 | 0.79 | ADORA2A (0.39) | ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL25876067 | 0.77 | PDE1A (0.41) | ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL30748227 | 0.77 | ADORA2A (0.38) | ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL29174854 | 0.77 | ADORA2A (0.38) | ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL21465889 | 0.75 | CYP3A4 (0.40) | ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL21462262 | 0.75 | CYP3A4 (0.40) | ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL21481752 | 0.75 | CYP3A4 (0.40) | ADORA2AADORA1ALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL21465886 | 0.75 | TLR7 (0.46) | ADORA2AADORA1MERTKPDE1APDE1B | |
| SCHEMBL28651973 | 0.69 | GRM2 (0.34) | ADORA2AADORA1PKMMERTK |
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-2019196918-A1 | FIVE-MEMBERED HETEROCYCLO-PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 罗欣药业(上海)有限公司 | 2019-10-17 | — | — | WO | disclosed |