Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 19/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 18/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19894067 | 0.86 | HCRTR2 (0.51) | HCRTR2HCRTR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL19893890 | 0.85 | HCRTR2 (0.50) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL19902985 | 0.83 | HCRTR2 (0.47) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL22383454 | 0.82 | HCRTR1 (0.47) | HCRTR2HCRTR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL19893928 | 0.81 | HCRTR2 (0.53) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL19894105 | 0.73 | PHGDH (0.67) | — | |
| Hydrochloric Acid SCHEMBL26643081 | 0.73 | HCRTR1 (0.48) | HCRTR2HCRTR1 | |
| SCHEMBL19893874 | 0.72 | HCRTR2 (0.53) | HCRTR2HCRTR1 | |
| SCHEMBL2356095 | 0.71 | HCRTR2 (0.58) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL1586432 | 0.70 | MYC (0.57) | HCRTR2HCRTR1KDM4ECYP3A4 |
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 |