Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | RORA | P35398 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | RORB | Q92753 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27801508 | 0.90 | ALDH1A1 (0.51) | PGRRORARORCRORBALDH1A1 | |
| SCHEMBL4078001 | 0.84 | GPR3 (0.43) | GPR3CYP1A2CYP2C19CYP19A1PGR | |
| SCHEMBL574039 | 0.80 | GPR3 (0.43) | GPR3CYP1A2CYP2C19CYP19A1PGR | |
| SCHEMBL13772400 | 0.78 | CNR1 (0.43) | GPR3CYP1A2CYP2C19PGRRORA | |
| SCHEMBL25526924 | 0.77 | GPR3 (0.40) | GPR3CYP1A2CYP2C19CYP19A1PGR | |
| SCHEMBL4000759 | 0.77 | GPR3 (0.46) | GPR3CYP1A2CYP2C19CYP19A1BACE1 | |
| SCHEMBL21030063 | 0.76 | GPR3 (0.39) | GPR3CYP1A2CYP2C19PGRRORA | |
| SCHEMBL23258865 | 0.74 | PGR (0.42) | GPR3CYP1A2CYP2C19PGRRORA | |
| SCHEMBL18445707 | 0.74 | GPR3 (0.38) | GPR3CYP1A2CYP2C19PGRRORA | |
| SCHEMBL573291 | 0.73 | PGR (0.45) | GPR3CYP1A2CYP2C19PGRRORA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021745-A2 | HEPATITIS C VIRUS ENTRY INHIBITORS | ITHERX PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |