Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30061963 | 1.00 | LMNA (0.36) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL21612025 | 0.81 | LMNA (0.41) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL21611990 | 0.81 | GRIN1 (0.43) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL24027392 | 0.80 | NPC1 (0.43) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL21611966 | 0.80 | GRIN1 (0.41) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL30062060 | 0.77 | CYP2C19 (0.38) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL21612028 | 0.76 | LMNA (0.35) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL21614659 | 0.74 | GRIN1 (0.34) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL21611965 | 0.74 | GRIN1 (0.35) | LMNAALDH1A1MAPTGRIN1GRIN2B | |
| SCHEMBL21614675 | 0.73 | CYP1A2 (0.42) | LMNAALDH1A1MAPTGRIN1GRIN2B |
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 |