Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626655 | 0.92 | ESR1 (0.43) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626639 | 0.91 | ESR1 (0.47) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626640 | 0.90 | ESR1 (0.46) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626652 | 0.90 | ESR1 (0.41) | ESR1ESR2DRD2DRD3NPC1 | |
| SCHEMBL13626657 | 0.90 | ESR1 (0.41) | ESR1ESR2DRD2DRD3NPC1 | |
| SCHEMBL13626642 | 0.89 | ESR1 (0.45) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626637 | 0.89 | ESR1 (0.45) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626641 | 0.89 | ESR1 (0.47) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626643 | 0.88 | ESR1 (0.44) | ESR1ESR2DRD2DRD3CYP26A1 | |
| SCHEMBL13626660 | 0.88 | ESR1 (0.45) | ESR1ESR2DRD2DRD3CYP26A1 |
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 |