Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5109392 | 0.99 | ESR1 (0.40) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| SCHEMBL5116826 | 0.94 | ESR1 (0.38) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| Trifluoroacetic Acid SCHEMBL5113798 | 0.93 | ESR1 (0.43) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| Trifluoroacetic Acid SCHEMBL5108860 | 0.92 | ESR1 (0.42) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| SCHEMBL5103000 | 0.90 | BCHE (0.41) | DRD2 | |
| SCHEMBL5102397 | 0.89 | BCHE (0.42) | DRD2HRH3 | |
| SCHEMBL5115570 | 0.89 | KDM4E (0.48) | ESR1ESR2GRIN2BDRD2KCNH2 | |
| Trifluoroacetic Acid SCHEMBL5114107 | 0.88 | ESR1 (0.40) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| SCHEMBL5113793 | 0.87 | ESR1 (0.37) | ESR1ESR2SLC6A2ADRA1AOPRK1 | |
| SCHEMBL5108854 | 0.86 | ESR1 (0.36) | ESR1ESR2SLC6A2ADRA1AOPRK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7435729-B2 | Compounds and methods for modulation of estrogen receptors | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-10-14 | — | — | US | disclosed |
| EP-1322617-A1 | COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS | SIGNAL PHARMACEUTICALS, INC. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002024653-A1 | COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS | SIGNAL PHARMACEUTICALS, INC. (US) | 2002-03-28 | — | — | WO | disclosed |