Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 19/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 19/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19894100 | 0.90 | HCRTR2 (0.54) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL19894048 | 0.81 | HCRTR2 (0.59) | HCRTR1HCRTR2 | |
| SCHEMBL19903040 | 0.79 | HCRTR1 (0.56) | HCRTR1HCRTR2 | |
| SCHEMBL20223595 | 0.74 | HCRTR2 (0.58) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL19893978 | 0.73 | HCRTR2 (0.54) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL19902988 | 0.73 | HCRTR1 (0.50) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL19893956 | 0.73 | HCRTR2 (0.51) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL20223597 | 0.72 | HCRTR2 (0.53) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL20212724 | 0.72 | HCRTR2 (0.75) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL20223599 | 0.72 | HCRTR2 (0.53) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 |
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 |