Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25699835 | 0.92 | NR1H2 (0.58) | NR1H2GRM5ESR2MAPTALDH1A1 | |
| SCHEMBL5497099 | 0.86 | MEN1 (0.55) | NR1H2GRM5ESR2ALDH1A1HTT | |
| SCHEMBL14720896 | 0.86 | GRM5 (0.46) | NR1H2GRM5ESR2MAPTALDH1A1 | |
| SCHEMBL4635083 | 0.86 | GRM5 (0.46) | NR1H2GRM5ESR2HDAC2USP2 | |
| SCHEMBL17541997 | 0.86 | NR1H2 (0.50) | NR1H2ESR2MAPTALDH1A1NPC1 | |
| SCHEMBL1473227 | 0.86 | GPR119 (0.51) | NR1H2GRM5ESR2MAPK1KDM4E | |
| SCHEMBL20304919 | 0.85 | SRD5A2 (0.55) | NR1H2GRM5ESR2MAPTADORA1 | |
| SCHEMBL15699606 | 0.85 | ALDH1A1 (0.54) | GRM5MAPTALDH1A1HTTKDM4E | |
| SCHEMBL27233567 | 0.85 | NR1H2 (0.53) | NR1H2GRM5ESR2MAPTADORA1 | |
| SCHEMBL16113569 | 0.84 | MAPT (0.54) | NR1H2GRM5ESR2MAPTGPR119 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9108939-B2 | (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis | MERCK SHARP & DOHME B.V. (NL) | 2015-08-18 | — | — | US | disclosed |
| EP-2493855-B1 | (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl derivatives, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis | MERCK SHARP & DOHME (NL) | 2014-02-26 | — | — | EP | disclosed |
| US-20120238574-A1 | (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS | N.V. ORGANON (NL) | 2012-09-20 | — | — | US | disclosed |
| EP-2493855-A1 | (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS | MSD Oss B.V. (NL) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011051282-A1 | (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS | N.V. ORGANON (NL) | 2011-05-05 | — | — | 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 (1 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-20120238574-A1 | (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS | TGFB1, FPR1, TGFB2 | NR1H2 37/4885GRM5 2269/4885ESR2 1377/4885 |
“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.