Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 5/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2079112 | 0.80 | SMN1; SMN2 (0.54) | RORCMAPTKIF11LMNAMEN1 | |
| SCHEMBL5360739 | 0.79 | KIF11 (0.41) | NR1H2NR1H3MAPTKIF11LMNA | |
| SCHEMBL2080703 | 0.77 | L3MBTL1 (0.35) | ARRORCMAPTKIF11LMNA | |
| SCHEMBL1797711 | 0.75 | KIF11 (0.52) | ADRA2AADRA2BADRA2CARMAPT | |
| Bromide SCHEMBL29203652 | 0.74 | KIF11 (0.50) | ADRA2AADRA2BADRA2CARMAPT | |
| Hydrochloric Acid SCHEMBL28869473 | 0.74 | KIF11 (0.50) | ADRA2AADRA2BADRA2CARMAPT | |
| Iodide SCHEMBL29229874 | 0.74 | KIF11 (0.50) | ADRA2AADRA2BADRA2CARMAPT | |
| SCHEMBL10721177 | 0.72 | ESR1 (0.45) | ADRA2AADRA2BADRA2CARNR1H2 | |
| SCHEMBL12355515 | 0.70 | CACNA1B (0.52) | MAPTKIF11LMNAMEN1KMT2A | |
| SCHEMBL2080679 | 0.69 | NR1H3 (0.56) | NR1H2NR1H3RORC |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897815-B2 | Hexafluoroisopropanol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-01 | — | — | US | disclosed |
| US-20100004297-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | DEHMLOW HENRIETTA | 2010-01-07 | — | — | US | disclosed |
| US-7608721-B2 | Hexafluoroisopropanol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-10-27 | — | — | US | disclosed |
| US-20080096937-A1 | Novel hexafluoroisopropanol derivatives | DEHMLOW HENRIETTA | 2008-04-24 | — | — | US | disclosed |
| US-20070213377-A1 | Novel hexafluoroisopropanol derivatives | DEHMLOW HENRIETTA | 2007-09-13 | — | — | US | disclosed |
| US-7259178-B2 | Containing an oxazole ring, e.g., 1,1,1,3,3,3-Hexafluoro-2-{4-[[5-methyl-2-(3-trifluoromethyl-phenyl)-oxazol-4-ylmethyl]-(2,2,2-trifluoro-ethyl)-amino]-phenyl}-propan-2-ol; the compounds bind to and selectively activate LXR alpha and LXR beta; used to treat diseases such as atherosclerosis and diabetes | HOFFMANN-LA ROCHE INC. (US) | 2007-08-21 | — | — | US | disclosed |
| EP-1763502-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-21 | — | — | EP | disclosed |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | US | disclosed |
| WO-2006000323-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070213377-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | ADRA2A 127/4885ADRA2B 78/4885ADRA2C 183/4885 |
| US-20100004297-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | NR1H3, NR1H2, NR1I2 | ADRA2A 127/4885ADRA2B 78/4885ADRA2C 183/4885 |
| US-20080096937-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | ADRA2A 127/4885ADRA2B 78/4885ADRA2C 183/4885 |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | ADRA2A 127/4885ADRA2B 78/4885ADRA2C 183/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.