Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | TP53 | P04637 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL30060466 | 1.00 | CYP2C9 (0.39) | CYP2C9CYP2C19MAPTTP53SMN1; SMN2 | |
| SCHEMBL23611320 | 0.91 | CYP2C19 (0.49) | CYP2C9CYP2C19MAPTTP53SMN1; SMN2 | |
| SCHEMBL30060473 | 0.91 | CYP2C19 (0.49) | CYP2C9CYP2C19MAPTTP53SMN1; SMN2 | |
| SCHEMBL30060464 | 0.85 | MAPT (0.38) | CYP2C9MAPTTP53SMN1; SMN2ROCK2 | |
| SCHEMBL23611372 | 0.85 | MAPT (0.38) | CYP2C9MAPTTP53SMN1; SMN2ROCK2 | |
| SCHEMBL30060454 | 0.82 | CYP2C19 (0.48) | CYP2C9CYP2C19MAPTTP53SMN1; SMN2 | |
| SCHEMBL23611448 | 0.82 | CLK1 (0.37) | MAPTTP53SMN1; SMN2ROCK2KDM4E | |
| SCHEMBL30060447 | 0.82 | CLK1 (0.37) | MAPTTP53SMN1; SMN2ROCK2KDM4E | |
| SCHEMBL23611347 | 0.81 | VNN1 (0.35) | MAPTTP53SMN1; SMN2ROCK2TRPV3 | |
| SCHEMBL30062297 | 0.81 | VNN1 (0.35) | MAPTTP53SMN1; SMN2ROCK2TRPV3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |