Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.73 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.73 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14381982 | 0.93 | ESR1 (0.84) | ESR1ESR2DRD2DRD1 | |
| SCHEMBL5103165 | 0.92 | ESR1 (0.73) | ESR1ESR2DRD2DRD1KDM4E | |
| SCHEMBL5108754 | 0.91 | ESR1 (0.71) | ESR1ESR2DRD2DRD1KDM4E | |
| SCHEMBL5664212 | 0.89 | ESR1 (0.60) | ESR1ESR2DRD2DRD1KDM4E | |
| SCHEMBL5524037 | 0.86 | ESR1 (0.92) | ESR1ESR2DRD2DRD1KDM4E | |
| SCHEMBL6716630 | 0.85 | ESR1 (1.00) | ESR1ESR2DRD2DRD1 | |
| SCHEMBL5641689 | 0.85 | ESR1 (0.63) | ESR1ESR2DRD2DRD1KDM4E | |
| Hydrochloric Acid SCHEMBL5640529 | 0.84 | ESR1 (0.61) | ESR1ESR2DRD2DRD1KDM4E | |
| SCHEMBL5108599 | 0.83 | ESR1 (0.60) | ESR1ESR2DRD2DRD1KDM4E | |
| SCHEMBL5105837 | 0.83 | ESR1 (0.86) | ESR1ESR2DRD2DRD1 |
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-7279489-B2 | Compounds and methods for modulation of estrogen receptors | SIGNAL PHARMACEUTICALS, LLC (US) | 2007-10-09 | — | — | US | disclosed |