Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3657207 | 0.88 | MRGPRX4 (0.43) | ALDH1A1MRGPRX4CTSAL3MBTL1ALOX15 | |
| SCHEMBL3659044 | 0.85 | MRGPRX4 (0.38) | MRGPRX4MDM2MDM4 | |
| SCHEMBL3653818 | 0.77 | CDC7 (0.38) | ALDH1A1MRGPRX4L3MBTL1HSD17B10MAPT | |
| SCHEMBL3658244 | 0.77 | CDC7 (0.37) | ALDH1A1MRGPRX4L3MBTL1NPSR1HSD17B10 | |
| SCHEMBL3651279 | 0.76 | KMO (0.39) | MRGPRX4 | |
| SCHEMBL3656161 | 0.76 | P4HTM (0.40) | ALDH1A1L3MBTL1ALOX15MDM2MAPT | |
| SCHEMBL3657608 | 0.76 | EIF4E (0.36) | — | |
| SCHEMBL3659717 | 0.75 | MAPT (0.34) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3659842 | 0.75 | KMO (0.36) | MRGPRX4MDM2 | |
| SCHEMBL838921 | 0.73 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1ALOX15NPSR1HSD17B10 |
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-2205562-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009040288-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | WO | disclosed |