Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL473975 | 0.86 | S1PR1 (0.33) | — | |
| SCHEMBL473900 | 0.71 | AR (0.43) | ESR1ESR2AR | |
| SCHEMBL3660073 | 0.63 | MAPT (0.32) | — | |
| SCHEMBL13183805 | 0.63 | KDM4E (0.37) | AR | |
| SCHEMBL27367025 | 0.61 | CYP3A4 (0.48) | ESR1ESR2AR | |
| SCHEMBL3242230 | 0.58 | ESR1 (0.56) | ESR1ESR2AR | |
| SCHEMBL473998 | 0.58 | AR (0.47) | ESR1AR | |
| SCHEMBL1128572 | 0.58 | UPP1 (0.50) | AR | |
| SCHEMBL250027 | 0.58 | ESR1 (0.46) | ESR1 | |
| SCHEMBL69021 | 0.57 | ESR1 (0.63) | ESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |