Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 5/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11264481 | 0.89 | DRD1 (0.46) | CYP3A4CYP2D6MTNR1BDRD1DRD2 | |
| SCHEMBL11544771 | 0.87 | CYP3A4 (0.43) | CYP3A4CYP2D6MTNR1BDRD1DRD2 | |
| SCHEMBL11264048 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP2D6MTNR1BDRD1DRD2 | |
| SCHEMBL11478094 | 0.83 | DRD1 (0.53) | CYP3A4CYP2D6DRD1DRD2ESR1 | |
| SCHEMBL10746175 | 0.81 | CYP3A4 (0.53) | CYP3A4CYP2D6MTNR1BDRD1DRD2 | |
| SCHEMBL10748766 | 0.79 | CYP2D6 (0.55) | CYP3A4CYP2D6MTNR1BDRD1DRD2 | |
| SCHEMBL11266427 | 0.79 | ESR1 (0.43) | CYP3A4CYP2D6MTNR1BKIF11ESR1 | |
| SCHEMBL10746034 | 0.78 | CYP3A4 (0.56) | CYP3A4CYP2D6MTNR1BDRD1DRD2 | |
| SCHEMBL10345334 | 0.77 | CYP3A4 (0.53) | CYP3A4CYP2D6MTNR1BDRD1DRD2 | |
| SCHEMBL11479914 | 0.76 | KIF11 (0.41) | CYP3A4CYP2D6DRD1DRD2KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| US-4206210-A | PARKINSON'S DISEASE | SMITHKLINE CORPORATION (US) | 1980-06-03 | — | — | US | disclosed |