Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 10/20 | 0.50 |
| ▸ | HTR2C | P28335 | 8/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | GPR6 | P46095 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15232568 | 0.84 | HTR2A (0.40) | HTR2AHTR2CKCNH2 | |
| SCHEMBL6120462 | 0.84 | HTR2A (0.40) | HTR2AHTR2CKCNH2CYP3A4 | |
| SCHEMBL15231488 | 0.81 | HTR2A (0.49) | HTR2AHTR2CKCNH2 | |
| SCHEMBL28072616 | 0.80 | HTR2A (0.47) | HTR2AHTR2CKCNH2ALOX5DRD2 | |
| SCHEMBL644453 | 0.79 | HTR2A (0.51) | HTR2AHTR2CKCNH2DRD2EPHX2 | |
| SCHEMBL4777810 | 0.76 | MMP13 (0.58) | — | |
| SCHEMBL3240288 | 0.76 | HTR2A (0.49) | HTR2AHTR2CKCNH2DRD2EPHX2 | |
| SCHEMBL643581 | 0.76 | HTR2A (0.49) | HTR2AHTR2CKCNH2DRD2EPHX2 | |
| SCHEMBL4106774 | 0.75 | HTR2A (0.56) | HTR2AHTR2CKCNH2DRD2EPHX2 | |
| SCHEMBL28214351 | 0.75 | HTR2A (0.63) | HTR2AHTR2CKCNH2ALOX5DRD2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3105216-A1 | PYRAZINES MODULATORS OF GPR6 | Takeda Pharmaceutical Company Limited (JP) | 2016-12-21 | — | — | EP | disclosed |
| EP-3105230-A1 | PYRIDOPYRAZINES MODULATORS OF GPR6 | Takeda Pharmaceutical Company Limited (JP) | 2016-12-21 | — | — | EP | disclosed |
| WO-2015123505-A1 | PYRIDOPYRAZINES MODULATORS OF GPR6 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-20 | — | — | WO | disclosed |
| WO-2015123533-A1 | PYRAZINES MODULATORS OF GPR6 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-20 | — | — | WO | disclosed |