Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 19/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.64 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.64 |
| ▸ | DHODH | Q02127 | 2/20 | 0.59 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.55 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29180033 | 1.00 | PARP1 (0.68) | PARP1HDAC3HDAC1HDAC2PARP2 | |
| SCHEMBL30811253 | 0.90 | PARP1 (0.73) | PARP1HDAC3HDAC1HDAC2PARP2 | |
| SCHEMBL29180031 | 0.90 | PARP1 (0.73) | PARP1HDAC3HDAC1HDAC2PARP2 | |
| SCHEMBL29179987 | 0.87 | PARP1 (0.74) | PARP1HDAC3HDAC1HDAC2PARP2 | |
| SCHEMBL29179990 | 0.85 | PARP1 (0.77) | PARP1HDAC3HDAC1HDAC2PARP2 | |
| SCHEMBL30811239 | 0.85 | PARP1 (0.77) | PARP1HDAC3HDAC1HDAC2PARP2 | |
| SCHEMBL29180021 | 0.84 | PARP1 (0.73) | PARP1PARP2DHODHAURKAAURKB | |
| SCHEMBL30811254 | 0.83 | PARP1 (0.72) | PARP1HDAC3HDAC1HDAC2PARP2 | |
| SCHEMBL29180003 | 0.83 | PARP1 (0.72) | PARP1HDAC3HDAC1HDAC2PARP2 | |
| SCHEMBL30811248 | 0.82 | PARP1 (0.70) | PARP1HDAC3HDAC1HDAC2PARP2 |
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-117624054-A | PARP inhibitor 2-substituted benzimidazole compound, and preparation method and application thereof | 广西大学 | 2024-03-01 | — | — | CN | disclosed |