Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 7/20 | 0.36 |
| ▸ | PDE4A | P27815 | 5/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | SCD | O00767 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29732827 | 1.00 | CHRM3 (0.36) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19900199 | 0.82 | CHRM3 (0.36) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29732718 | 0.82 | CHRM3 (0.36) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19900305 | 0.76 | LRRK2 (0.36) | — | |
| SCHEMBL19900198 | 0.76 | CHRM3 (0.32) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29732830 | 0.76 | CHRM3 (0.32) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29732896 | 0.76 | CHRM3 (0.32) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19900326 | 0.73 | ALDH1A1 (0.36) | HRH4FFAR4PDE10AALDH1A1SCD | |
| SCHEMBL29732895 | 0.73 | ALDH1A1 (0.36) | HRH4FFAR4PDE10AALDH1A1SCD | |
| SCHEMBL19900143 | 0.71 | ALDH1A1 (0.51) | CHRM3PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018039077-A1 | THERAPEUTIC COMPOUNDS | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2018-03-01 | — | — | WO | disclosed |
| WO-2018039077-A1 | THERAPEUTIC COMPOUNDS | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2018-03-01 | — | — | WO | disclosed |