Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 12/20 | 0.36 |
| ▸ | HTR2A | P28223 | 8/20 | 0.36 |
| ▸ | HTR2B | P41595 | 8/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL13626703 | 0.94 | ESR1 (0.37) | HTR2CHTR2AHTR2BCXCR3ESR1 | |
| SCHEMBL13626708 | 0.94 | ESR1 (0.38) | HTR2CCXCR3ESR1ESR2 | |
| SCHEMBL13626638 | 0.93 | ESR2 (0.44) | HTR2CHTR2AHTR2BESR1ESR2 | |
| SCHEMBL13626673 | 0.90 | ESR1 (0.42) | HTR2CHTR2AHTR2BESR1ESR2 | |
| SCHEMBL13626702 | 0.87 | ESR1 (0.37) | CXCR3ESR1ESR2CYP2D6 | |
| SCHEMBL13626700 | 0.87 | ESR1 (0.37) | CXCR3ESR1ESR2CYP2D6 | |
| SCHEMBL228246 | 0.85 | ESR1 (0.47) | HTR2CHTR2AHTR2BCXCR3ESR1 | |
| SCHEMBL229625 | 0.85 | ESR1 (0.47) | HTR2CHTR2AHTR2BCXCR3ESR1 | |
| SCHEMBL13626668 | 0.84 | ESR1 (0.43) | HTR2CHTR2AHTR2BESR1ESR2 | |
| SCHEMBL13626670 | 0.83 | ESR1 (0.44) | HTR2CHTR2AHTR2BESR1ESR2 |
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 |