Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL224310 | 0.97 | ESR1 (0.51) | ESR1ESR2CHRM1CHRM3CHRM5 | |
| SCHEMBL230283 | 0.85 | ESR1 (0.52) | ESR1ESR2CHRM1CHRM3CHRM5 | |
| SCHEMBL227075 | 0.84 | ESR1 (0.62) | ESR1ESR2CHRM1CHRM3CHRM5 | |
| SCHEMBL227076 | 0.84 | ESR1 (0.62) | ESR1ESR2CHRM1CHRM3CHRM5 | |
| SCHEMBL226262 | 0.82 | ESR1 (0.50) | ESR1ESR2CHRM1CHRM3CHRM5 | |
| SCHEMBL226261 | 0.82 | ESR1 (0.50) | ESR1ESR2CHRM1CHRM3CHRM5 | |
| SCHEMBL225109 | 0.81 | ESR1 (0.68) | ESR1ESR2CHRM1CHRM3CHRM5 | |
| SCHEMBL226934 | 0.81 | ESR1 (0.61) | ESR1ESR2MCHR1DRD2DRD3 | |
| SCHEMBL226933 | 0.81 | ESR1 (0.61) | ESR1ESR2MCHR1DRD2DRD3 | |
| SCHEMBL229188 | 0.81 | ESR1 (0.51) | ESR1ESR2CHRM1CHRM3KCNH2 |
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 |