Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL30577985 | 1.00 | ADORA2A (0.67) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28638067 | 0.99 | ADORA2A (0.66) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28640715 | 0.99 | ADORA2A (0.66) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL30577989 | 0.99 | ADORA2A (0.66) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL30577992 | 0.99 | ADORA2A (0.66) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL30577988 | 0.97 | ADORA2A (0.68) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28625764 | 0.97 | ADORA2A (0.68) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL30577993 | 0.85 | ADORA2A (0.70) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28640856 | 0.85 | ADORA2A (0.70) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1489873 | 0.84 | ADORA2A (0.73) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113387938-A | Substituted pyrimidine compound, preparation method, intermediate and application thereof | 上海科技大学 | 2021-09-14 | — | — | CN | disclosed |