Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.60 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.55 |
| ▸ | CDK1 | P06493 | 2/20 | 0.54 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.54 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.54 |
| ▸ | CDK2 | P24941 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | PI4KA | P42356 | 1/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | AHCY | P23526 | 2/20 | 0.43 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21451434 | 0.87 | CDK1 (0.71) | ADORA2AADORA1ADORA2BTMIGD3CDK1 | |
| SCHEMBL1377647 | 0.84 | CDK1 (0.76) | ADORA2AADORA1ADORA2BTMIGD3CDK1 | |
| SCHEMBL232387 | 0.83 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BTMIGD3CDK1 | |
| SCHEMBL3441081 | 0.81 | CDK1 (0.64) | ADORA2AADORA1ADORA2BTMIGD3CDK1 | |
| SCHEMBL19553561 | 0.81 | ADORA2A (0.57) | ADORA2AADORA1CDK1CCNB1CCNE1 | |
| SCHEMBL21128125 | 0.81 | CDK1 (0.50) | ADORA2AADORA1ADORA2BTMIGD3CDK1 | |
| SCHEMBL28476413 | 0.79 | ADORA2A (0.57) | ADORA2AADORA1ADORA2BTMIGD3CDK1 | |
| SCHEMBL23350293 | 0.78 | ALDH1A1 (0.44) | ADORA2AADORA1ADORA2BTMIGD3CDK1 | |
| SCHEMBL130527 | 0.78 | CDK1 (0.64) | ADORA2AADORA1ADORA2BCDK1CCNB1 | |
| SCHEMBL21504451 | 0.78 | CCNE1 (0.46) | ADORA2AADORA1CDK1CCNB1CCNE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023000708-A1 | POLYSUBSTITUTED PURINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2023-01-26 | — | — | WO | disclosed |
| WO-2023000708-A1 | POLYSUBSTITUTED PURINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2023-01-26 | — | — | WO | disclosed |
| CN-113549076-A | Polysubstituted purine compound and preparation method and application thereof | 中国药科大学 | 2021-10-26 | — | — | CN | disclosed |