Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 17/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29115637 | 1.00 | ATAD2 (0.50) | ATAD2PARP1PARP2BRD4 | |
| SCHEMBL25606713 | 0.86 | ATAD2 (0.51) | ATAD2PARP1PARP2 | |
| SCHEMBL25604620 | 0.84 | ATAD2 (0.50) | ATAD2PARP1PARP2BRD4 | |
| SCHEMBL25606715 | 0.84 | ATAD2 (0.50) | ATAD2PARP1PARP2BRD4 | |
| SCHEMBL25604619 | 0.84 | ATAD2 (0.50) | ATAD2PARP1PARP2 | |
| SCHEMBL30331559 | 0.84 | ATAD2 (0.50) | ATAD2PARP1PARP2 | |
| SCHEMBL30663279 | 0.84 | ATAD2 (0.50) | ATAD2PARP1PARP2BRD4 | |
| SCHEMBL29396473 | 0.83 | PARP1 (0.52) | PARP1PARP2 | |
| SCHEMBL22912684 | 0.83 | PARP1 (0.52) | PARP1PARP2 | |
| SCHEMBL29960664 | 0.81 | PARP1 (0.45) | PARP1PARP2 |
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-116710433-A | Selective PARP1 inhibitor and application thereof | 成都百裕制药股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2022222966-A1 | SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |