Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5114923 | 0.94 | ESR1 (0.40) | ESR1ESR2KDM4EALDH1A1ALOX15 | |
| SCHEMBL5109391 | 0.94 | ESR1 (0.39) | ESR1ESR2KDM4EALDH1A1ALOX15 | |
| SCHEMBL5108109 | 0.91 | SLC6A2 (0.37) | KDM4EDRD2DRD1 | |
| Trifluoroacetic Acid SCHEMBL5113788 | 0.88 | ESR1 (0.37) | ESR1ESR2 | |
| Trifluoroacetic Acid SCHEMBL5108850 | 0.87 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL5115565 | 0.86 | KDM4E (0.48) | ESR1ESR2KDM4EALDH1A1ALOX15 | |
| SCHEMBL5108015 | 0.85 | ESR1 (0.40) | ESR1ESR2KDM4EALDH1A1ALOX15 | |
| SCHEMBL5102997 | 0.85 | SLC6A2 (0.40) | KDM4EDRD2DRD1 | |
| SCHEMBL5102395 | 0.84 | SLC6A2 (0.39) | KDM4EDRD2DRD1 | |
| SCHEMBL5101665 | 0.83 | ESR1 (0.59) | ESR1ESR2KDM4EALDH1A1ALOX15 |
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 |