Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.37 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 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 | |
|---|---|---|---|---|
| SCHEMBL11485426 | 0.82 | CYP2A6 (0.58) | AKR1B1LOXL2HDAC6CYP2A6ASIC3 | |
| SCHEMBL2094705 | 0.82 | AKR1B1 (0.41) | AKR1B1LOXL2HDAC6CYP2A6ASIC3 | |
| SCHEMBL424764 | 0.82 | AKR1B1 (0.39) | AKR1B1LOXL2HDAC6CYP2A6ASIC3 | |
| SCHEMBL2090663 | 0.82 | CYP2A6 (0.40) | AKR1B1LOXL2HDAC6CYP2A6ASIC3 | |
| SCHEMBL2056139 | 0.82 | AKR1B1 (0.39) | AKR1B1LOXL2CYP2A6ASIC3SMN1; SMN2 | |
| SCHEMBL3402925 | 0.82 | CYP2A6 (0.58) | AKR1B1LOXL2CYP2A6ASIC3SMN1; SMN2 | |
| SCHEMBL2039262 | 0.79 | CYP2A6 (0.42) | AKR1B1LOXL2HDAC6CYP2A6ASIC3 | |
| SCHEMBL5543495 | 0.79 | AKR1B1 (0.38) | AKR1B1LOXL2HDAC6CYP2A6ASIC3 | |
| SCHEMBL16414423 | 0.79 | AKR1B1 (0.38) | AKR1B1LOXL2HDAC6CYP2A6ASIC3 | |
| SCHEMBL13907589 | 0.78 | HSP90AA1 (0.47) | AKR1B1LOXL2CYP2A6ASIC3KDM4E |
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 10 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 |
| EP-0222576-B1 | HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS | PFIZER INC. (US) | 1992-03-18 | — | — | EP | 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 | AKR1B1 393/4885LOXL2 2947/4885HDAC6 1940/4885 |
| US-20100004297-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | NR1H3, NR1H2, NR1I2 | AKR1B1 393/4885LOXL2 2947/4885HDAC6 1940/4885 |
| US-20080096937-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | AKR1B1 393/4885LOXL2 2947/4885HDAC6 1940/4885 |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | AKR1B1 393/4885LOXL2 2947/4885HDAC6 1940/4885 |
“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.