Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.36 |
| ▸ | SDHB | P21912 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL30062605 | 1.00 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL30060483 | 0.86 | PRMT5 (0.37) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL21611960 | 0.83 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL21612005 | 0.83 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL21611983 | 0.81 | PDE10A (0.48) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL31694532 | 0.77 | SMN1; SMN2 (0.37) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL21612004 | 0.73 | PDE10A (0.44) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL24027392 | 0.73 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL21611967 | 0.73 | PDE10A (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL21611990 | 0.72 | GRIN1 (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 |
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 |