Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 8/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD5 | P21918 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10746813 | 0.91 | CYP3A4 (0.54) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10345899 | 0.90 | CYP2D6 (0.53) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10345840 | 0.86 | CYP2D6 (0.53) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10748134 | 0.82 | CYP3A4 (0.43) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10345941 | 0.81 | CYP3A4 (0.42) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10744445 | 0.80 | CYP3A4 (0.41) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10743718 | 0.80 | CYP3A4 (0.53) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10345641 | 0.79 | CYP3A4 (0.52) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10345640 | 0.78 | MMP1 (0.46) | CYP2D6CYP3A4CA1CA2CA9 | |
| SCHEMBL10350881 | 0.78 | CA7 (0.53) | CA1CA2CA9CA14CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0230755-B1 | 1-PHENYL-3-BENZAZEPINES | SMITHKLINE BEECHAM CORPORATION (US) | 1990-05-16 | — | — | EP | disclosed |
| US-4707483-A | 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders | SMITHKLINE BECKMAN CORPORATION (US) | 1987-11-17 | — | — | US | disclosed |
| EP-0230755-A1 | 1-Phenyl-3-benzazepines | SMITHKLINE BEECHAM CORPORATION (US) | 1987-08-05 | — | — | EP | disclosed |