Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 4/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626703 | 0.99 | ESR1 (0.37) | ESR1ESR2HTR2CKDRCXCR3 | |
| SCHEMBL13626711 | 0.94 | HTR2C (0.36) | ESR1ESR2HTR2CCXCR3 | |
| SCHEMBL13626675 | 0.90 | ESR1 (0.44) | ESR1ESR2HTR2C | |
| SCHEMBL13626670 | 0.90 | ESR1 (0.44) | ESR1ESR2HTR2C | |
| SCHEMBL13626668 | 0.89 | ESR1 (0.43) | ESR1ESR2HTR2C | |
| SCHEMBL13626702 | 0.88 | ESR1 (0.37) | ESR1ESR2KDRCXCR3 | |
| SCHEMBL13626700 | 0.88 | ESR1 (0.37) | ESR1ESR2KDRCXCR3CHEK1 | |
| SCHEMBL13626638 | 0.86 | ESR2 (0.44) | ESR1ESR2HTR2C | |
| SCHEMBL228649 | 0.85 | ESR1 (0.48) | ESR1ESR2HTR2CKDRCHEK1 | |
| SCHEMBL226461 | 0.85 | ESR1 (0.48) | ESR1ESR2HTR2CKDRCHEK1 |
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 |