Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30060478 | 1.00 | MAPT (0.37) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30060488 | 0.85 | MAPT (0.38) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23611516 | 0.85 | MAPT (0.38) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21611930 | 0.82 | CYP2C9 (0.42) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21614656 | 0.79 | CYP2C19 (0.52) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23611396 | 0.77 | KDM4E (0.42) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23611365 | 0.77 | SMN1; SMN2 (0.40) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23611330 | 0.75 | MAPT (0.43) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30061969 | 0.75 | MAPT (0.43) | MAPTTP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23611312 | 0.73 | CYP2C9 (0.39) | MAPTTP53CYP1A2CYP2C9CYP2C19 |
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 |