Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 18/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 18/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19903042 | 0.89 | HCRTR1 (0.51) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL19903115 | 0.84 | HCRTR2 (0.64) | HCRTR1HCRTR2 | |
| SCHEMBL19903058 | 0.82 | HCRTR2 (0.51) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL19894048 | 0.82 | HCRTR2 (0.59) | HCRTR1HCRTR2 | |
| SCHEMBL19903091 | 0.82 | HCRTR2 (0.52) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL19903099 | 0.82 | HCRTR2 (0.50) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL20212712 | 0.81 | HCRTR2 (0.54) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL19894142 | 0.81 | HCRTR2 (0.62) | HCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL19894103 | 0.80 | HCRTR2 (0.61) | HCRTR1HCRTR2 | |
| SCHEMBL19903005 | 0.80 | HCRTR2 (0.53) | HCRTR1HCRTR2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3287454-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2020-09-02 | — | — | EP | disclosed |
| EP-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |