Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | DRD3 | P35462 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626576 | 0.96 | ESR1 (0.52) | ESR1ESR2KDM4EDRD2DRD3 | |
| SCHEMBL13626574 | 0.92 | ESR1 (0.53) | ESR1ESR2DRD2DRD3HRH3 | |
| SCHEMBL13626578 | 0.91 | ESR1 (0.54) | ESR1ESR2DRD2DRD3DRD4 | |
| SCHEMBL13626600 | 0.90 | ESR1 (0.51) | ESR1ESR2DRD2DRD3SLC6A4 | |
| SCHEMBL13626588 | 0.90 | ESR1 (0.51) | ESR1ESR2DRD2DRD3SLC6A4 | |
| SCHEMBL13626577 | 0.89 | ESR1 (0.53) | ESR1ESR2DRD2DRD3DRD4 | |
| SCHEMBL13626589 | 0.88 | ESR1 (0.51) | ESR1ESR2KDM4EDRD2DRD3 | |
| SCHEMBL13626580 | 0.88 | ESR1 (0.52) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL228966 | 0.88 | ESR1 (0.58) | ESR1ESR2KDM4EDRD2DRD3 | |
| SCHEMBL13626586 | 0.87 | ESR1 (0.48) | ESR1ESR2KDM4EDRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7612114-B2 | Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-11-03 | — | — | US | disclosed |