Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 11/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | THPO | P40225 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11529303 | 0.84 | ESR1 (0.45) | ESR1ESR2DRD1HSD17B10THPO | |
| SCHEMBL11528134 | 0.82 | DRD1 (0.64) | DRD1HSD17B10THPOMAPK1HIF1A | |
| SCHEMBL10746034 | 0.76 | CYP3A4 (0.56) | ESR1ESR2DRD1HSD17B10THPO | |
| SCHEMBL10748766 | 0.75 | CYP2D6 (0.55) | DRD1HSD17B10THPOMAPK1HIF1A | |
| SCHEMBL10746175 | 0.73 | CYP3A4 (0.53) | ESR1ESR2DRD1HSD17B10THPO | |
| SCHEMBL10743718 | 0.73 | CYP3A4 (0.53) | ESR1ESR2DRD1HSD17B10THPO | |
| SCHEMBL10345334 | 0.73 | CYP3A4 (0.53) | ESR1ESR2DRD1HSD17B10THPO | |
| SCHEMBL10749164 | 0.72 | CYP3A4 (0.52) | ESR1ESR2DRD1HSD17B10THPO | |
| SCHEMBL10345641 | 0.72 | CYP3A4 (0.52) | ESR1ESR2DRD1HSD17B10THPO | |
| SCHEMBL8302737 | 0.69 | ESR1 (0.63) | ESR1ESR2KDM4EMAPTTSHR |
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-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 |
| US-4160765-A | Method for 6-bromination of 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine compounds | SMITHKLINE CORPORATION (US) | 1979-07-10 | — | — | US | disclosed |