Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | GRK2 | P25098 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.40 |
| ▸ | RHOC | P08134 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | USP1 | O94782 | 2/20 | 0.38 |
| ▸ | WDR48 | Q8TAF3 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21614728 | 0.92 | CYP2C19 (0.57) | CYP2C19CYP3A4ROCK2GRK2GAA | |
| SCHEMBL21612036 | 0.92 | CYP2C19 (0.52) | CYP2C19CYP3A4ROCK2GRK2IDH1 | |
| SCHEMBL21614717 | 0.88 | TP53 (0.50) | CYP2C19CYP3A4CYP2C9SREBF2LMNA | |
| SCHEMBL21614721 | 0.85 | CYP2C19 (0.51) | CYP2C19CYP3A4ROCK2GRK2IDH1 | |
| SCHEMBL21614715 | 0.83 | CYP2C19 (0.45) | CYP2C19CYP3A4IDH1CYP2C9SREBF2 | |
| SCHEMBL21611982 | 0.82 | CYP2C19 (0.54) | CYP2C19CYP3A4ROCK2GRK2CYP2C9 | |
| SCHEMBL21612023 | 0.82 | IDH1 (0.46) | CYP2C19CYP3A4ROCK2GRK2IDH1 | |
| SCHEMBL21614718 | 0.82 | SYK (0.42) | CYP2C19CYP3A4ROCK2GRK2IDH1 | |
| SCHEMBL21614660 | 0.81 | CYP2C19 (0.63) | CYP2C19CYP3A4CYP2C9CYP1A2SCN9A | |
| SCHEMBL21614677 | 0.81 | CYP2C19 (0.60) | CYP2C19CYP3A4CYP2C9CYP1A2SMN1; 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 4 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 |
| 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 1824/4885CYP3A4 3080/4885ROCK2 1384/4885 |
“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.