Predicted protein targets (top 16)
| 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 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | 0.95 | PARP1 (0.44) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL23202610 | 0.92 | PARP1 (0.43) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL23202653 | 0.84 | RAF1 (0.40) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL23198768 | 0.82 | PARP1 (0.40) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL23202633 | 0.81 | PARP1 (0.39) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL20293591 | 0.80 | PDCD1 (0.54) | MAPK8 | |
| SCHEMBL29812811 | 0.80 | PDCD1 (0.54) | MAPK8 | |
| SCHEMBL24722368 | 0.80 | PARP1 (0.43) | PARP1TNKS2PARP2RAF1BRAF | |
| SCHEMBL24127353 | 0.79 | MAP3K5 (0.52) | BACE1MAPK8MAP3K5ESR2 | |
| SCHEMBL23201568 | 0.79 | PDCD1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021063404-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2021-04-08 | — | — | WO | disclosed |