Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | 0.34 |
| ▸ | PTGDR | Q13258 | 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 | |
|---|---|---|---|---|
| SCHEMBL30060450 | 1.00 | CYP2C19 (0.52) | CYP2C19CYP2C9KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL23627693 | 0.88 | CYP2C19 (0.43) | CYP2C19CYP2C9KCNH2TP53S1PR1 | |
| SCHEMBL30060458 | 0.86 | CYP2C19 (0.52) | CYP2C19CYP2C9KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL23611317 | 0.86 | CYP2C19 (0.52) | CYP2C19CYP2C9KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL31694534 | 0.85 | CYP2C19 (0.53) | CYP2C19CYP2C9KCNH2TP53S1PR1 | |
| SCHEMBL23611318 | 0.85 | CYP2C19 (0.51) | CYP2C19CYP2C9KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL30062377 | 0.85 | CYP2C19 (0.51) | CYP2C19CYP2C9KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL23611234 | 0.85 | CYP2C19 (0.51) | CYP2C19CYP2C9KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL30062257 | 0.85 | CYP2C19 (0.51) | CYP2C19CYP2C9KCNH2MAPTSMN1; SMN2 | |
| SCHEMBL23611330 | 0.84 | MAPT (0.43) | CYP2C19CYP2C9MAPTSMN1; SMN2KDM4E |
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 |