Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | NPY1R | P25929 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626668 | 0.94 | ESR1 (0.43) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL13626670 | 0.93 | ESR1 (0.44) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL13626675 | 0.93 | ESR1 (0.44) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL13626711 | 0.90 | HTR2C (0.36) | ESR1ESR2KDM4EHTR2AHTR2C | |
| SCHEMBL13626678 | 0.89 | ESR1 (0.40) | ESR1ESR2DRD2OPRD1OPRK1 | |
| SCHEMBL13626591 | 0.87 | ESR1 (0.48) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL13626590 | 0.87 | ESR1 (0.48) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL13626667 | 0.86 | ESR1 (0.42) | ESR1ESR2DRD2DRD3 | |
| SCHEMBL13626666 | 0.86 | ESR1 (0.42) | ESR1ESR2DRD2DRD3OPRK1 | |
| SCHEMBL225118 | 0.86 | ESR1 (0.55) | ESR1ESR2SIGMAR1KDM4EMLNR |
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 |