Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | CSF1R | P07333 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 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 | |
|---|---|---|---|---|
| SCHEMBL29277919 | 1.00 | NPC1 (0.39) | NPC1CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29277993 | 0.91 | NPC1 (0.41) | NPC1CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29939902 | 0.91 | NPC1 (0.41) | NPC1CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29940532 | 0.72 | PSMB5 (0.43) | KDM1AMAOAMAOBPSMB5IDO1 | |
| SCHEMBL29940097 | 0.72 | PSMB5 (0.43) | KDM1AMAOAMAOBPSMB5IDO1 | |
| SCHEMBL29277971 | 0.72 | PSMB5 (0.43) | KDM1AMAOAMAOBPSMB5IDO1 | |
| SCHEMBL29302555 | 0.72 | PSMB5 (0.43) | KDM1AMAOAMAOBPSMB5IDO1 | |
| SCHEMBL29277953 | 0.72 | PSMB5 (0.43) | KDM1AMAOAMAOBPSMB5IDO1 | |
| SCHEMBL30960508 | 0.72 | CYP2A6 (0.34) | SLC6A2SLC6A4SLC6A3IGF1R | |
| Hydrochloric Acid SCHEMBL29940427 | 0.71 | PSMB5 (0.42) | KDM1AMAOAMAOBPSMB5IDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4308229-A1 | INHIBITORS OF PLASMA KALLIKREIN | Takeda Pharmaceutical Company Limited (JP) | 2024-01-24 | — | — | EP | disclosed |
| CN-117396469-A | Inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| WO-2022197763-A1 | INHIBITORS OF PLASMA KALLIKREIN | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2022-09-22 | — | — | WO | disclosed |