Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | RHOC | P08134 | 1/20 | 0.35 |
| ▸ | RHOA | P61586 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21612036 | 0.91 | CYP2C19 (0.52) | CYP2C19CYP3A4TP53MAPTCYP2C9 | |
| SCHEMBL21612013 | 0.83 | CYP2C19 (0.61) | CYP2C19CYP3A4TP53MAPTCYP2C9 | |
| SCHEMBL21614717 | 0.81 | TP53 (0.50) | CYP2C19CYP3A4TP53MAPTCYP2C9 | |
| SCHEMBL21614721 | 0.79 | CYP2C19 (0.51) | CYP2C19CYP3A4TP53MAPTCYP2C9 | |
| SCHEMBL21614728 | 0.78 | CYP2C19 (0.57) | CYP2C19CYP3A4TP53MAPTCYP2C9 | |
| SCHEMBL21612043 | 0.77 | CYP2C19 (0.56) | CYP2C19CYP3A4CYP2C9SCN9AHDAC1 | |
| SCHEMBL21614716 | 0.75 | CYP2C19 (0.48) | CYP2C19CYP3A4TP53MAPTCYP2C9 | |
| SCHEMBL21614718 | 0.75 | SYK (0.42) | CYP2C19CYP3A4ABCB1ABCG2TP53 | |
| SCHEMBL21612023 | 0.75 | IDH1 (0.46) | CYP2C19CYP3A4MAPTCYP2C9IDH1 | |
| SCHEMBL21614660 | 0.71 | CYP2C19 (0.63) | CYP2C19CYP3A4CYP2C9SCN9AHDAC1 |
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 | CYP2C19 1824/4885CYP3A4 3080/4885ABCB1 1105/4885 |
“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.