Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 20/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 19/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22383446 | 0.84 | HCRTR2 (0.47) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL19902941 | 0.83 | HCRTR2 (0.49) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL19894067 | 0.83 | HCRTR2 (0.51) | HCRTR2HCRTR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL19893890 | 0.82 | HCRTR2 (0.50) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL22383454 | 0.81 | HCRTR1 (0.47) | HCRTR2HCRTR1CYP3A4 | |
| Bromide SCHEMBL19893878 | 0.78 | HCRTR1 (0.53) | HCRTR2HCRTR1 | |
| Bromide SCHEMBL19894041 | 0.75 | HCRTR2 (0.49) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL19894138 | 0.73 | SLC6A7 (0.42) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL27029930 | 0.71 | HCRTR2 (0.56) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL19903026 | 0.71 | CYP1A2 (0.47) | HCRTR2HCRTR1CYP3A4 |
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-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |