Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | LOX | P28300 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 3/20 | 0.36 |
| ▸ | IDH2 | P48735 | 3/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.34 |
| ▸ | TAS2R14 | Q9NYV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21614667 | 0.79 | CYP2C19 (0.68) | CYP2C19CYP2C9CYP3A4CYP1A2SMARCA2 | |
| SCHEMBL21614700 | 0.78 | CYP2C19 (0.66) | CYP2C19CYP2C9CYP3A4CYP1A2SMARCA2 | |
| SCHEMBL21611928 | 0.76 | MAPT (0.50) | CYP2C19CYP2C9SMARCA2SMARCA4HDAC4 | |
| SCHEMBL21614771 | 0.76 | CYP2C19 (0.58) | CYP2C19CYP2C9CYP3A4CYP1A2SMARCA2 | |
| SCHEMBL21611935 | 0.76 | CYP2C19 (0.45) | CYP2C19CYP2C9CYP3A4CYP1A2SMARCA2 | |
| SCHEMBL21614677 | 0.75 | CYP2C19 (0.60) | CYP2C19CYP2C9CYP3A4CYP1A2HDAC4 | |
| SCHEMBL21612033 | 0.75 | CYP2C19 (0.60) | CYP2C19CYP2C9CYP3A4CYP1A2SMARCA2 | |
| SCHEMBL21614772 | 0.74 | CYP2C19 (0.75) | CYP2C19CYP2C9CYP3A4CYP1A2HDAC4 | |
| SCHEMBL21611937 | 0.73 | LOXL2 (0.38) | CYP2C19CYP2C9CYP3A4CYP1A2LOXL2 | |
| SCHEMBL25124381 | 0.71 | SMARCA2 (0.48) | CYP2C19CYP2C9CYP3A4SMARCA2SMARCA4 |
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-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 |