Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 19/20 | 0.81 |
| ▸ | ADORA2A | P29274 | 19/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.77 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL28627608 | 0.92 | ADORA2A (0.80) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL4972610 | 0.88 | ADORA1 (0.80) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL28634426 | 0.88 | ADORA2A (0.62) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL4969507 | 0.87 | ADORA2A (0.84) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL28636134 | 0.87 | ADORA2A (0.64) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL4972664 | 0.87 | ADORA1 (1.00) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL4971754 | 0.86 | ADORA2A (1.00) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL4973687 | 0.85 | ADORA1 (1.00) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL4973679 | 0.85 | ADORA1 (1.00) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 | |
| SCHEMBL4972636 | 0.84 | ADORA2A (0.80) | ADORA1ADORA2ACYP3A4CYP2D6KCNH2 |
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 |