Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | MAP3K5 | Q99683 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL23198474 | 0.78 | PARP1 (0.46) | PARP1TNKS2PARP2MTORFABP4 | |
| SCHEMBL23199846 | 0.78 | PARP1 (0.47) | PARP1TNKS2PARP2MTORFABP4 | |
| SCHEMBL23198443 | 0.74 | ADORA1 (0.52) | PARP1TNKS2PARP2MTORRAF1 | |
| SCHEMBL23202652 | 0.71 | PARP1 (0.43) | PARP1TNKS2PARP2MTORRAF1 | |
| SCHEMBL23199117 | 0.68 | C5AR1 (0.42) | PARP1TNKS2PARP2MTORNR1H2 | |
| SCHEMBL23199026 | 0.68 | C5AR1 (0.43) | PARP1TNKS2PARP2MTORESR2 | |
| SCHEMBL23202660 | 0.67 | ADORA1 (0.48) | PARP1TNKS2PARP2MTORFABP4 | |
| SCHEMBL31576175 | 0.67 | GPR119 (0.47) | PARP1TNKS2PARP2F12ESR2 | |
| SCHEMBL23198536 | 0.66 | ADORA1 (0.49) | PARP1TNKS2PARP2MTORF12 | |
| SCHEMBL15502960 | 0.66 | ESR2 (0.50) | PARP1TNKS2PARP2F12ESR2 |
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 |