Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 12/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL26260607 | 1.00 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL30040840 | 0.92 | ABCB1 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL26260525 | 0.92 | ABCB1 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL30040786 | 0.90 | KIF11 (0.41) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL26260626 | 0.90 | KIF11 (0.41) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL23618336 | 0.85 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL21611960 | 0.82 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL26260609 | 0.82 | ABCB1 (0.40) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL26261620 | 0.78 | ABCB1 (0.35) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL26261019 | 0.78 | ABCB1 (0.51) | 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-4085054-B1 | NEW PQSR INVERSE AGONISTS | HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) | 2025-02-19 | — | — | EP | disclosed |
| EP-4085054-A1 | NEW PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2022-11-09 | — | — | EP | disclosed |