Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.54 |
| ▸ | DRD2 | P14416 | 10/20 | 0.45 |
| ▸ | DRD1 | P21728 | 8/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | RECQL | P46063 | 3/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | THPO | P40225 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11270417 | 0.79 | DRD1 (0.50) | ESR1ESR2DRD2DRD1KDM4E | |
| SCHEMBL11478094 | 0.76 | DRD1 (0.53) | ESR1ESR2DRD2DRD1DRD5 | |
| SCHEMBL7331166 | 0.76 | DRD1 (0.69) | DRD2DRD1DRD5KDM4EBLM | |
| SCHEMBL11266427 | 0.74 | ESR1 (0.43) | ESR1ESR2KDM1ACYP2D6TSHR | |
| SCHEMBL9160979 | 0.72 | DRD2 (0.55) | ESR1ESR2DRD2DRD1DRD3 | |
| Hydrochloric Acid SCHEMBL11269487 | 0.72 | DRD1 (0.67) | DRD2DRD1DRD3DRD5KDM4E | |
| SCHEMBL11528134 | 0.72 | DRD1 (0.64) | DRD2DRD1DRD5KDM4EBLM | |
| SCHEMBL9162204 | 0.70 | DRD1 (0.55) | ESR2DRD2DRD1DRD3DRD4 | |
| SCHEMBL9161077 | 0.70 | DRD1 (0.55) | ESR2DRD2DRD1DRD3DRD4 | |
| SCHEMBL6713506 | 0.70 | ESR1 (1.00) | ESR1ESR2SLC6A2SLC6A4SLC6A3 |
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-4321195-A | 6-Halo-7,8-dimethoxy-1-(methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE CORPORATION (US) | 1982-03-23 | — | — | US | disclosed |
| US-4197297-A | 6-Halo-7,8-dihydroxy-1-(hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE CORPORATION (US) | 1980-04-08 | — | — | US | disclosed |