Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10746175 | 0.88 | CYP3A4 (0.53) | ESR1ESR2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10744663 | 0.84 | ESR1 (0.49) | ESR1ESR2CYP3A4CYP2D6KMT2A | |
| SCHEMBL10345334 | 0.79 | CYP3A4 (0.53) | ESR1ESR2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10746034 | 0.77 | CYP3A4 (0.56) | ESR1ESR2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10748766 | 0.76 | CYP2D6 (0.55) | CYP3A4CYP2D6MTNR1BTRPV1CYP2C19 | |
| SCHEMBL11266427 | 0.76 | ESR1 (0.43) | ESR1ESR2CYP3A4CYP2D6KMT2A | |
| SCHEMBL10743718 | 0.74 | CYP3A4 (0.53) | ESR1ESR2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL6716414 | 0.73 | ESR1 (0.67) | ESR1ESR2 | |
| SCHEMBL10749164 | 0.73 | CYP3A4 (0.52) | ESR1ESR2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10345641 | 0.73 | CYP3A4 (0.52) | ESR1ESR2CYP3A4CYP2D6MTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0244088-A2 | 1-Phenyl-3-benzazepine compounds and medicaments containing these compounds for treating gastrointestinal motility disorders | SMITHKLINE BEECHAM CORPORATION (US) | 1987-11-04 | — | — | EP | disclosed |