Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5114928 | 0.94 | ESR1 (0.40) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| Trifluoroacetic Acid SCHEMBL5114107 | 0.93 | ESR1 (0.40) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| SCHEMBL5109392 | 0.93 | ESR1 (0.40) | ESR1ESR2GRIN2BBCHEACHE | |
| SCHEMBL5108105 | 0.90 | BCHE (0.42) | BCHEACHEDRD2 | |
| SCHEMBL5114103 | 0.88 | BCHE (0.35) | ESR1ESR2BCHEACHEAURKB | |
| Trifluoroacetic Acid SCHEMBL5113798 | 0.88 | ESR1 (0.43) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| Trifluoroacetic Acid SCHEMBL5108860 | 0.87 | ESR1 (0.42) | ESR1ESR2GRIN2BMLNRNR1I2 | |
| SCHEMBL5115570 | 0.85 | KDM4E (0.48) | ESR1ESR2GRIN2BDRD2KCNH2 | |
| SCHEMBL14032085 | 0.84 | ESR1 (0.51) | ESR1ESR2MLNRNR1I2NR3C1 | |
| SCHEMBL5103000 | 0.84 | BCHE (0.41) | BCHEACHEDRD2 |
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-7435729-B2 | Compounds and methods for modulation of estrogen receptors | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-10-14 | — | — | US | disclosed |