Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.56 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.53 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.53 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.53 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.53 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | PTPRB | P23467 | 1/20 | 0.52 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.52 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 6/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | CETP | P11597 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5025938 | 0.84 | MRGPRX4 (0.69) | MRGPRX4CACNA1BCYP4F2CYP4A11NR4A2 | |
| SCHEMBL3977512 | 0.83 | LMNA (0.58) | MRGPRX4PTPN2PTPN1PTPRBPTPN6 | |
| SCHEMBL9434943 | 0.81 | MAOB (0.58) | MRGPRX4PDK1PDK2PDK3PDK4 | |
| SCHEMBL6231474 | 0.79 | MRGPRX4 (0.63) | MRGPRX4PTPN2PTPN1PTPRBPTPN6 | |
| SCHEMBL23923538 | 0.78 | MAOB (0.54) | MRGPRX4PDK1PDK2PDK3PDK4 | |
| SCHEMBL17978677 | 0.78 | NR4A2 (0.57) | MRGPRX4PDK1PDK2PDK3PDK4 | |
| SCHEMBL78171 | 0.78 | MAOB (0.62) | MRGPRX4CACNA1BCYP4F2CYP4A11NR4A2 | |
| SCHEMBL9265354 | 0.77 | PKM (0.58) | MRGPRX4PDK1PDK2PDK3PDK4 | |
| SCHEMBL3980539 | 0.77 | FFAR4 (0.52) | MRGPRX4 | |
| SCHEMBL10474017 | 0.76 | MAOB (0.60) | MRGPRX4CACNA1BCYP4F2CYP4A11NR4A2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101031540-B | Hexafluoroisopropanol substituted ether derivatives | HOFFMANN LA ROCHE | 2010-05-26 | — | — | CN | claimed |
| US-7473705-B2 | Hexafluoroisopropanol substituted ether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-01-06 | — | — | US | claimed |
| EP-1802566-B1 | HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-11-26 | — | — | EP | claimed |
| CN-101031540-A | Hexafluoroisopropanol substituted ether derivatives | HOFFMANN LA ROCHE (CH) | 2007-09-05 | — | — | CN | claimed |
| EP-1802566-A1 | HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-07-04 | — | — | EP | claimed |
| WO-2006037480-A1 | HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-04-13 | — | — | WO | claimed |
| US-20060074115-A1 | Novel hexafluoroisopropanol substituted ether derivatives | HOFFMANN-LA ROCHE INC. | 2006-04-06 | — | — | US | claimed |
| CN-101031540-B | Hexafluoroisopropanol substituted ether derivatives | HOFFMANN LA ROCHE | 2010-05-26 | — | — | CN | disclosed |
| US-7473705-B2 | Hexafluoroisopropanol substituted ether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-01-06 | — | — | US | disclosed |
| EP-1802566-B1 | HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-11-26 | — | — | EP | disclosed |
| CN-101031540-A | Hexafluoroisopropanol substituted ether derivatives | HOFFMANN LA ROCHE (CH) | 2007-09-05 | — | — | CN | disclosed |
| EP-1802566-A1 | HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006037480-A1 | HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-04-13 | — | — | WO | disclosed |
| US-20060074115-A1 | Novel hexafluoroisopropanol substituted ether derivatives | HOFFMANN-LA ROCHE INC. | 2006-04-06 | — | — | US | 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-20060074115-A1 | Novel hexafluoroisopropanol substituted ether derivatives | NR1H3, NR1H2, NR1I2 | MRGPRX4 157/4885PDK1 1410/4885PDK2 2301/4885 |
“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.