Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.37 |
| ▸ | C5AR1 | P21730 | 6/20 | 0.37 |
| ▸ | F12 | P00748 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23198767 | 0.85 | PARP1 (0.44) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL23202610 | 0.81 | PARP1 (0.43) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL23202652 | 0.80 | PARP1 (0.43) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL20314450 | 0.77 | PARP1 (0.38) | PARP1TNKS2PARP2MKNK1ESR2 | |
| SCHEMBL23198768 | 0.71 | PARP1 (0.40) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL23202633 | 0.70 | PARP1 (0.39) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL21552638 | 0.68 | AKT1 (0.41) | PARP1TNKS2PARP2MKNK1C5AR1 | |
| SCHEMBL20293591 | 0.67 | PDCD1 (0.54) | MAPK8 | |
| SCHEMBL29812811 | 0.67 | PDCD1 (0.54) | MAPK8 | |
| SCHEMBL22821067 | 0.67 | ESR2 (0.60) | PARP1TNKS2PARP2SCN9AESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4043461-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-08-17 | — | — | EP | disclosed |