Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | LOX | P28300 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21612040 | 0.86 | CYP2C19 (0.61) | CYP2C19CYP2C9CYP3A4HDAC3HDAC1 | |
| SCHEMBL21614677 | 0.85 | CYP2C19 (0.60) | CYP2C19CYP2C9CYP3A4HDAC3HDAC1 | |
| SCHEMBL21612031 | 0.82 | CYP2C19 (0.48) | CYP2C19CYP2C9CYP3A4HDAC3HDAC1 | |
| SCHEMBL21612041 | 0.78 | CYP2C19 (0.79) | CYP2C19CYP2C9KCNH2S1PR1 | |
| SCHEMBL21614696 | 0.74 | CYP2C19 (0.54) | CYP2C19CYP2C9CYP3A4HDAC3HDAC1 | |
| SCHEMBL30096288 | 0.74 | HDAC3 (0.51) | CYP2C19CYP2C9CYP3A4HDAC3HDAC1 | |
| SCHEMBL21612050 | 0.74 | TP53 (0.39) | CYP2C19CYP2C9CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL21614667 | 0.73 | CYP2C19 (0.68) | CYP2C19CYP2C9CYP3A4HDAC3HDAC1 | |
| SCHEMBL21614697 | 0.73 | CYP2C19 (0.55) | CYP2C19CYP2C9CYP3A4HDAC3HDAC1 | |
| SCHEMBL31694535 | 0.72 | CYP2C19 (0.50) | CYP2C19CYP2C9HDAC3HDAC1MAPT |
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 |