Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22755305 | 1.00 | MGLL (0.42) | MGLLSLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL22754886 | 0.90 | MGLL (0.37) | MGLL | |
| SCHEMBL22754925 | 0.90 | MGLL (0.41) | MGLL | |
| SCHEMBL22754906 | 0.88 | MGLL (0.39) | MGLLCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22755286 | 0.88 | MGLL (0.36) | MGLLSLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL22754873 | 0.86 | MGLL (0.38) | MGLL | |
| SCHEMBL22755296 | 0.86 | MGLL (0.40) | MGLL | |
| SCHEMBL22755304 | 0.86 | MGLL (0.40) | MGLL | |
| SCHEMBL22755327 | 0.84 | MGLL (0.35) | MGLLCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22754980 | 0.84 | MGLL (0.39) | MGLLKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3747885-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-12-09 | — | — | EP | disclosed |