Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | GRIN1 | Q05586 | 14/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 14/20 | 0.48 |
| ▸ | RXRA | P19793 | 13/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30040629 | 1.00 | CYP3A4 (0.62) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26260566 | 0.93 | CYP3A4 (0.61) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL21614734 | 0.93 | CYP3A4 (0.67) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26260506 | 0.92 | CYP3A4 (0.69) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26260517 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26260513 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL30040797 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26262255 | 0.85 | CYP3A4 (0.58) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26261253 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP2C19GRIN1GRIN2BRXRA | |
| SCHEMBL26261276 | 0.85 | CYP3A4 (0.56) | CYP3A4CYP2C19GRIN1GRIN2BRXRA |
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 |
|---|---|---|---|---|---|---|---|
| US-20230286942-A1 | NEW PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2023-09-14 | — | — | 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 (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-20230286942-A1 | NEW PqsR INVERSE AGONISTS | QRFPR, P2RY11, GPR55 | CYP3A4 3256/4885CYP2C19 1645/4885GRIN1 1261/4885 |
“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.