Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 17/20 | 0.51 |
| ▸ | PDE4A | P27815 | 15/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 15/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 15/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 15/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042975 | 0.90 | CHRM3 (0.42) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20042881 | 0.77 | HRH1 (0.41) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20042813 | 0.76 | HTR2C (0.37) | PDE4APDE4BPDE4CPDE4DPDE10A | |
| SCHEMBL20042777 | 0.76 | HRH4 (0.38) | — | |
| SCHEMBL20042683 | 0.76 | NPY5R (0.39) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31614818 | 0.76 | NPY5R (0.39) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL31614730 | 0.74 | MEN1 (0.39) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL31405518 | 0.74 | MEN1 (0.39) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19358098 | 0.72 | HRH4 (0.41) | — | |
| SCHEMBL31143470 | 0.72 | PDE10A (0.46) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |