Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 5/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11544771 | 0.93 | CYP3A4 (0.43) | CYP3A4CYP2D6MTNR1BKIF11ESR1 | |
| SCHEMBL11264481 | 0.88 | DRD1 (0.46) | CYP3A4CYP2D6MTNR1BKIF11ESR1 | |
| SCHEMBL11542358 | 0.87 | CYP2D6 (0.57) | CYP3A4CYP2D6DRD1DRD2CYP1A2 | |
| SCHEMBL11480295 | 0.86 | CYP3A4 (0.42) | CYP3A4CYP2D6MTNR1BKIF11ESR1 | |
| SCHEMBL11266427 | 0.79 | ESR1 (0.43) | CYP3A4CYP2D6MTNR1BKIF11ESR1 | |
| SCHEMBL10746034 | 0.79 | CYP3A4 (0.56) | CYP3A4CYP2D6MTNR1BADAM17ESR1 | |
| SCHEMBL10748766 | 0.78 | CYP2D6 (0.55) | CYP3A4CYP2D6MTNR1BADAM17TRPV1 | |
| SCHEMBL10746175 | 0.76 | CYP3A4 (0.53) | CYP3A4CYP2D6MTNR1BADAM17ESR1 | |
| SCHEMBL11539154 | 0.76 | DRD1 (0.53) | CYP3A4CYP2D6DRD1DRD2ALDH1A1 | |
| SCHEMBL11270417 | 0.76 | DRD1 (0.50) | CYP3A4CYP2D6ESR1ESR2DRD1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0026505-B1 | 7,8-SUBSTITUTED-1-PHENYL-2,3,4,5-TETRAHYDRO-1-H-3-BENZAZEPINES | SMITHKLINE BECKMAN CORPORATION (US) | 1982-09-15 | — | — | EP | disclosed |
| EP-0002327-B1 | PHARMACOLOGICALLY ACTIVE 6-LOWER ALKYL-7,8-DIHYDROXY-1-PHENYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, METHOD OF PREPARING THEM AND INTERMEDIATES | SMITHKLINE BECKMAN CORPORATION (US) | 1982-08-04 | — | — | EP | disclosed |
| US-4342686-A | Intermediates for preparing 6-lower alkyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE CORPORATION (US) | 1982-08-03 | — | — | US | disclosed |
| US-4265889-A | DOPAMINERGIC, HYPOTENSIVE | SMITHKLINE CORPORATION (US) | 1981-05-05 | — | — | US | disclosed |
| EP-0026505-A1 | 7,8-Substituted-1-phenyl-2,3,4,5-tetrahydro-1-H-3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1981-04-08 | — | — | EP | disclosed |
| US-4165372-A | 6-Carboxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine compounds and use as dopaminergic agents | SMITHKLINE CORPORATION (US) | 1979-08-21 | — | — | US | disclosed |
| EP-0002327-A1 | Pharmacologically active 6-lower alkyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines, method of preparing them and intermediates | SMITHKLINE BECKMAN CORPORATION (US) | 1979-06-13 | — | — | EP | disclosed |