Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.80 |
| ▸ | ADORA1 | P30542 | 18/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL28634428 | 0.92 | ADORA1 (0.81) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4972636 | 0.88 | ADORA2A (0.80) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL28630409 | 0.88 | ADORA2A (0.71) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL28636138 | 0.87 | ADORA2A (0.78) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL28627607 | 0.87 | ADORA2A (0.63) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4969575 | 0.87 | ADORA2A (1.00) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL28625623 | 0.84 | ADORA2A (0.60) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4970948 | 0.83 | ADORA2A (0.74) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL28640873 | 0.83 | ADORA2A (0.62) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4972610 | 0.83 | ADORA1 (0.80) | ADORA2AADORA1CYP3A4CYP2D6KCNH2 |
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 |