Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.33 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.33 |
| ▸ | ATP4A | P20648 | 2/20 | 0.33 |
| ▸ | BRS3 | P32247 | 2/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.33 |
| ▸ | ATP4B | P51164 | 2/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30285297 | 0.93 | AGXT (0.35) | AGXTHSP90AA1HDAC1HDAC8HDAC6 | |
| SCHEMBL20937610 | 0.93 | AGXT (0.35) | AGXTHSP90AA1HDAC1HDAC8HDAC6 | |
| SCHEMBL30285002 | 0.86 | PDE1C (0.37) | AGXTHSP90AA1HDAC1HDAC8HDAC6 | |
| SCHEMBL20936944 | 0.86 | PDE1C (0.37) | AGXTHSP90AA1HDAC1HDAC8HDAC6 | |
| SCHEMBL19512674 | 0.84 | HDAC1 (0.33) | HDAC1HDAC8HDAC6 | |
| SCHEMBL20937144 | 0.83 | HDAC1 (0.38) | AGXTHSP90AA1HDAC1HDAC8HDAC6 | |
| SCHEMBL30285057 | 0.83 | HDAC1 (0.38) | AGXTHSP90AA1HDAC1HDAC8HDAC6 | |
| SCHEMBL19512673 | 0.82 | KMT2A (0.35) | AGXTHSP90AA1HDAC1HDAC8HDAC6 | |
| SCHEMBL20914671 | 0.82 | BCL2 (0.33) | HSP90AA1KDM4EALDH1A1MAPTPKM | |
| SCHEMBL20914600 | 0.82 | HSP90AA1 (0.35) | AGXTHSP90AA1WDR5KMT2AMCL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10696635-B2 | Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates | THE SCRIPPS RESEARCH INSTITUTE (US) | 2020-06-30 | — | — | US | disclosed |
| US-20190119212-A1 | A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS | THE SCRIPPS RESEARCH INSTITUTE | 2019-04-25 | — | — | US | 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 (2 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-20190119212-A1 | A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS | AHR, PAH, DOHH | AGXT 2288/4885HSP90AA1 2570/4885HDAC1 1011/4885 |
| US-10696635-B2 | Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates | PAH, AHR, DDC | AGXT 2246/4885HSP90AA1 1938/4885HDAC1 1111/4885 |
“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.