Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17551377 | 0.92 | ADORA1 (0.50) | ADORA1ESR2MTORMAPTTP53 | |
| SCHEMBL23198536 | 0.89 | ADORA1 (0.49) | ADORA1ESR2MTORMAPTTP53 | |
| SCHEMBL23198443 | 0.83 | ADORA1 (0.52) | ADORA1ESR2MTORMAPTTP53 | |
| SCHEMBL23199090 | 0.82 | ADORA1 (0.51) | ADORA1ESR2MTORMAPTTP53 | |
| SCHEMBL23200226 | 0.81 | ADORA1 (0.53) | ADORA1ESR2MTORMAPTALDH1A1 | |
| SCHEMBL24758537 | 0.81 | ADORA1 (0.50) | ADORA1ESR2MTORMAPTTP53 | |
| SCHEMBL24722778 | 0.80 | ADORA1 (0.48) | ADORA1ESR2MTORMAPTTP53 | |
| SCHEMBL24759062 | 0.80 | ADORA1 (0.48) | ADORA1ESR2MTORMAPTMEN1 | |
| SCHEMBL19470792 | 0.78 | NR1H2 (0.37) | ADORA1TP53POLBLMNASMN1; SMN2 | |
| SCHEMBL17551254 | 0.78 | NR1H2 (0.37) | ADORA1TP53POLBLMNASMN1; SMN2 |
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 | ADORA1 2762/4885ESR2 2871/4885MTOR 754/4885 |
“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.