Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5115010 | 0.88 | ESR1 (0.45) | ESR1ESR2DRD2DRD1 | |
| SCHEMBL5101665 | 0.88 | ESR1 (0.59) | ESR1ESR2KDM4EDRD2DRD1 | |
| SCHEMBL5115645 | 0.87 | ESR1 (0.46) | ESR1ESR2KDM4EHTR2A | |
| SCHEMBL5108948 | 0.85 | ESR1 (0.48) | ESR1ESR2 | |
| SCHEMBL5105659 | 0.85 | ESR1 (0.48) | ESR1ESR2KDM4EDRD2DRD1 | |
| SCHEMBL5115176 | 0.84 | ESR1 (0.42) | ESR1ESR2KDM4ESLC6A2HTR2A | |
| SCHEMBL5104970 | 0.84 | ESR1 (0.48) | ESR1ESR2KCNH2CYP3A4CYP2C19 | |
| SCHEMBL5108305 | 0.84 | ESR1 (0.48) | ESR1ESR2KDM4ESLC6A2SLC6A4 | |
| SCHEMBL5115565 | 0.83 | KDM4E (0.48) | ESR1ESR2KCNH2KDM4EDRD2 | |
| SCHEMBL5104683 | 0.82 | ESR1 (0.45) | ESR1ESR2KDM4ESLC6A2SLC6A4 |
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 4 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 |
| US-7279489-B2 | Compounds and methods for modulation of estrogen receptors | SIGNAL PHARMACEUTICALS, LLC (US) | 2007-10-09 | — | — | US | disclosed |
| US-6593322-B1 | Methods are disclosed for modulating ER- beta in cell and/or tissues expressing the same, including cells and/ or tissue that preferentially ER- beta . Methods for treating estrogen-related conditions are also disclosed, including | SIGNAL PHARMACEUTICALS, INC. | 2003-07-15 | — | — | US | disclosed |
| US-6436923-B1 | ESTROGEN ANTAGONISTS AND/OR AGONISTS FOR TREATING ESTROGEN-RELATED CONDITIONS | SIGNAL PHARMACEUTICALS, INC. | 2002-08-20 | — | — | US | disclosed |