Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28636038 | 0.92 | ADORA2A (0.57) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28623141 | 0.90 | ADORA2A (0.69) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28640873 | 0.87 | ADORA2A (0.62) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28625336 | 0.86 | ADORA2A (0.59) | ADORA2AADORA1CYP3A4 | |
| SCHEMBL28630408 | 0.85 | ADORA2A (0.56) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28630409 | 0.85 | ADORA2A (0.71) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28642248 | 0.80 | ADORA2A (0.61) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28632305 | 0.80 | ADORA2A (0.59) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28625623 | 0.78 | ADORA2A (0.60) | ADORA2AADORA1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL28636138 | 0.77 | ADORA2A (0.78) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113387938-B | Substituted pyrimidine compound, preparation method, intermediate and application thereof | 上海科技大学 | 2023-08-18 | — | — | CN | disclosed |
| CN-113387938-A | Substituted pyrimidine compound, preparation method, intermediate and application thereof | 上海科技大学 | 2021-09-14 | — | — | CN | disclosed |