Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 16/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30060476 | 1.00 | CYP2C19 (0.67) | CYP2C19CYP2C9KCNH2S1PR1S1PR3 | |
| SCHEMBL30060446 | 0.88 | CYP2C19 (0.50) | CYP2C19CYP2C9KCNH2S1PR1HDAC1 | |
| SCHEMBL23611402 | 0.88 | CYP2C19 (0.50) | CYP2C19CYP2C9KCNH2S1PR1HDAC1 | |
| SCHEMBL23611450 | 0.87 | CYP2C19 (0.69) | CYP2C19CYP2C9KCNH2S1PR1S1PR3 | |
| SCHEMBL23611440 | 0.85 | CYP2C19 (0.47) | CYP2C19CYP2C9KCNH2S1PR1HDAC1 | |
| SCHEMBL30062040 | 0.85 | CYP2C19 (0.47) | CYP2C19CYP2C9KCNH2S1PR1HDAC1 | |
| SCHEMBL30060461 | 0.85 | CYP2C19 (0.47) | CYP2C19CYP2C9KCNH2S1PR1HDAC1 | |
| SCHEMBL23611499 | 0.85 | CYP2C19 (0.47) | CYP2C19CYP2C9KCNH2S1PR1HDAC1 | |
| SCHEMBL21612041 | 0.85 | CYP2C19 (0.79) | CYP2C19CYP2C9KCNH2S1PR1S1PR3 | |
| SCHEMBL21614737 | 0.81 | CYP2C19 (0.73) | CYP2C19CYP2C9KCNH2S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4085057-A1 | NOVEL PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2022-11-09 | — | — | EP | disclosed |
| WO-2021136805-A1 | NOVEL PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-07-08 | — | — | WO | disclosed |
| WO-2021136805-A1 | NOVEL PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-07-08 | — | — | WO | disclosed |