Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PLAUR | Q03405 | 3/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 14/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 14/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19894138 | 0.81 | SLC6A7 (0.42) | CYP1A2CYP3A4CYP2C9HCRTR1HCRTR2 | |
| SCHEMBL1670991 | 0.72 | HCRTR1 (0.61) | HCRTR1HCRTR2 | |
| SCHEMBL19902985 | 0.71 | HCRTR2 (0.47) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL20223574 | 0.69 | HCRTR1 (0.52) | PLAURHCRTR1HCRTR2 | |
| SCHEMBL1672821 | 0.69 | HCRTR1 (0.58) | HCRTR1HCRTR2 | |
| SCHEMBL8256145 | 0.68 | RXFP1 (0.70) | — | |
| SCHEMBL22383446 | 0.68 | HCRTR2 (0.47) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL1670993 | 0.67 | HCRTR1 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL932848 | 0.67 | ALOX15 (0.53) | CYP3A4CYP2C9 | |
| SCHEMBL19903078 | 0.66 | LMNA (0.38) | — |
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 |