Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 9/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 9/20 | 0.36 |
| ▸ | PDE4A | P27815 | 7/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TKT | P29401 | 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 | |
|---|---|---|---|---|
| SCHEMBL276474 | 0.82 | PDE10A (0.54) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL14435742 | 0.77 | PDE10A (0.39) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL13769264 | 0.76 | PDE10A (0.48) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL11185504 | 0.74 | PDE10A (0.42) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL4428463 | 0.74 | PDE10A (0.45) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL4419009 | 0.74 | PDE10A (0.45) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL909717 | 0.69 | CHRM3 (0.43) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL4424922 | 0.68 | PDE10A (0.39) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL4429098 | 0.68 | PDE10A (0.39) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL717059 | 0.67 | TSHR (0.38) | PDE10AKDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007089031-A1 | PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-09 | — | — | WO | disclosed |