Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5101624 | 0.93 | ESR1 (0.45) | KDM4EALDH1A1ALOX15HSD17B10KMT2A | |
| SCHEMBL5108482 | 0.90 | KMT2A (0.51) | KDM4EALDH1A1ALOX15HSD17B10KMT2A | |
| SCHEMBL7813313 | 0.90 | ESR1 (0.45) | DRD2ESR1ESR2KCNH2GRIN2B | |
| SCHEMBL5104973 | 0.89 | ESR1 (0.48) | KDM4EALDH1A1ALOX15HSD17B10KMT2A | |
| SCHEMBL5101675 | 0.89 | ESR1 (0.60) | DRD2ESR1ESR2KCNH2GRIN2B | |
| SCHEMBL5108018 | 0.89 | ESR1 (0.39) | DRD2ESR1ESR2KCNH2GRIN2B | |
| SCHEMBL5114928 | 0.89 | ESR1 (0.40) | DRD2ESR1ESR2KCNH2GRIN2B | |
| SCHEMBL5108309 | 0.88 | ESR1 (0.49) | ESR1ESR2GRIN2B | |
| SCHEMBL5109392 | 0.88 | ESR1 (0.40) | DRD2ESR1ESR2KCNH2GRIN2B | |
| SCHEMBL5105667 | 0.87 | ESR1 (0.48) | ESR1ESR2GRIN2B |
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 |