Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.84 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.84 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | RXRA | P19793 | 14/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 14/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 14/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21614628 | 0.92 | CYP3A4 (1.00) | CYP3A4CYP2C19CA12CA2CA9 | |
| SCHEMBL21612018 | 0.88 | CYP2C19 (0.66) | CYP3A4CYP2C19CA12CA2CA9 | |
| SCHEMBL21614768 | 0.87 | CYP3A4 (0.84) | CYP3A4CYP2C19CA12CA2CA9 | |
| SCHEMBL21614694 | 0.87 | CYP3A4 (0.84) | CYP3A4CYP2C19RXRAGRIN1GRIN2B | |
| SCHEMBL21614766 | 0.87 | CYP2C19 (0.64) | CYP3A4CYP2C19CA12CA2CA9 | |
| SCHEMBL21614633 | 0.86 | CYP2C19 (0.83) | CYP3A4CYP2C19CA12CA2CA9 | |
| SCHEMBL21611962 | 0.85 | CYP2C19 (0.77) | CYP3A4CYP2C19CA12CA2CA9 | |
| SCHEMBL21611991 | 0.84 | CYP3A4 (0.78) | CYP3A4CYP2C19CA12CA2CA9 | |
| SCHEMBL21614640 | 0.84 | CYP3A4 (0.78) | CYP3A4CYP2C19CA12CA2CA9 | |
| SCHEMBL21614730 | 0.84 | CYP3A4 (0.81) | CYP3A4CYP2C19CA12CA2CA9 |
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-20210353606-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-11-18 | — | — | US | disclosed |
| WO-2020007938-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2020-01-09 | — | — | 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-20210353606-A1 | PqsR INVERSE AGONISTS | QRFPR, P2RY11, QARS1 | CYP3A4 3080/4885CYP2C19 1824/4885CA12 4861/4885 |
“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.