Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 10/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.37 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21614741 | 0.89 | CYP2C19 (0.55) | CYP2C19CYP2C9HDAC1HDAC8HDAC6 | |
| SCHEMBL21614655 | 0.87 | CYP2C19 (0.48) | CYP2C19CYP2C9HDAC1HDAC8HDAC6 | |
| SCHEMBL21614733 | 0.83 | CYP2C19 (0.46) | CYP2C19CYP2C9HDAC1HDAC8HDAC6 | |
| SCHEMBL21614716 | 0.83 | CYP2C19 (0.48) | CYP2C19CYP2C9CYP3A4CDK2GSK3B | |
| SCHEMBL21611985 | 0.82 | CYP2C19 (0.70) | CYP2C19CYP2C9HDAC1HDAC8HDAC6 | |
| SCHEMBL21611924 | 0.80 | CDK2 (0.38) | CYP2C19CYP2C9HDAC1HDAC6CYP3A4 | |
| SCHEMBL21614660 | 0.77 | CYP2C19 (0.63) | CYP2C19CYP2C9HDAC1HDAC8HDAC6 | |
| SCHEMBL21612043 | 0.75 | CYP2C19 (0.56) | CYP2C19CYP2C9HDAC1HDAC8HDAC6 | |
| SCHEMBL21611935 | 0.74 | CYP2C19 (0.45) | CYP2C19CYP2C9HDAC1HDAC8HDAC6 | |
| SCHEMBL21611972 | 0.72 | CYP2C19 (0.46) | CYP2C19CYP2C9HDAC6CYP3A4SMARCA2 |
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-20210353606-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-11-18 | — | — | US | disclosed |
| EP-3818045-A1 | PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-05-12 | — | — | EP | 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 | CYP2C19 1824/4885CYP2C9 2997/4885HDAC1 3152/4885 |
“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.