Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.42 |
| ▸ | F12 | P00748 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23199026 | 0.89 | C5AR1 (0.43) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL23198474 | 0.88 | PARP1 (0.46) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL23202660 | 0.87 | ADORA1 (0.48) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL23198443 | 0.86 | ADORA1 (0.52) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL22204312 | 0.80 | PARP1 (0.41) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL19925934 | 0.78 | PTGER4 (0.43) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL30474327 | 0.78 | ESR2 (0.55) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL23200233 | 0.78 | PARP1 (0.38) | PARP1TNKS2PARP2ESR2NR1H2 | |
| SCHEMBL31576175 | 0.78 | GPR119 (0.47) | PARP1TNKS2PARP2ADORA1ESR2 | |
| SCHEMBL23198536 | 0.77 | ADORA1 (0.49) | PARP1TNKS2PARP2ADORA1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220402917-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | MEDSHINE DISCOVERY INC. (CN) | 2022-12-22 | — | — | US | disclosed |
| EP-4043461-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-08-17 | — | — | EP | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20220402917-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | CD274, PDCD1, PDCD1LG2 | PARP1 342/4885TNKS2 1486/4885PARP2 622/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.