Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11454330 | 0.85 | ESR1 (0.54) | ESR1ESR2MAPTKDM4EHSD17B10 | |
| SCHEMBL11529303 | 0.83 | ESR1 (0.45) | ESR1ESR2ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL11529300 | 0.69 | ESR1 (0.43) | ESR1ESR2ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL11528134 | 0.68 | DRD1 (0.64) | CYP2D6CYP3A4CYP2C19CYP1A2MAPT | |
| SCHEMBL6716441 | 0.65 | ESR1 (1.00) | ESR1ESR2KDM4EMEN1KMT2A | |
| SCHEMBL1094195 | 0.64 | GAA (0.43) | ESR1ESR2MAPTGAAMEN1 | |
| SCHEMBL10746034 | 0.63 | CYP3A4 (0.56) | ESR1ESR2ALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL6713636 | 0.63 | ESR1 (0.74) | ESR1ESR2ALDH1A1KDM4EMEN1 | |
| SCHEMBL4663870 | 0.62 | GRIN1 (0.48) | ESR1ESR2 | |
| SCHEMBL10748766 | 0.62 | CYP2D6 (0.55) | CYP2D6CYP3A4CYP2C19CYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4187314-A | DOPAMINERGIC ACTIVITY | SMITHKLINE CORPORATION (US) | 1980-02-05 | — | — | US | disclosed |
| US-4111957-A | DOPAMINERGIC | SMITHKLINE CORPORATION (US) | 1978-09-05 | — | — | US | disclosed |