Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.39 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1461945 | 0.85 | GRIN2B (0.48) | SLC6A2SLC6A4LTA4HNR1H2NR1H3 | |
| SCHEMBL1460723 | 0.83 | DRD2 (0.47) | SLC6A2SLC6A4NR1H2NR1H3MEN1 | |
| SCHEMBL5370707 | 0.80 | NR1H2 (0.40) | SLC6A2SLC6A4NR1H2NR1H3MEN1 | |
| SCHEMBL1461003 | 0.79 | SLC6A2 (0.41) | SLC6A2SLC6A4OPRM1OPRD1OPRK1 | |
| SCHEMBL5357408 | 0.77 | SLC6A2 (0.39) | SLC6A2SLC6A4LTA4HNR1H2NR1H3 | |
| SCHEMBL5614293 | 0.77 | SLC6A2 (0.45) | SLC6A2SLC6A4LTA4HYTHDC1OPRM1 | |
| SCHEMBL21222467 | 0.77 | NR1H2 (0.43) | SLC6A2SLC6A4NR1H2NR1H3YTHDC1 | |
| SCHEMBL21222468 | 0.77 | NR1H2 (0.43) | SLC6A2SLC6A4NR1H2NR1H3YTHDC1 | |
| SCHEMBL1460744 | 0.75 | DPP4 (0.48) | SLC6A2SLC6A4OPRM1DPP4DPP9 | |
| SCHEMBL1460765 | 0.75 | AGER (0.43) | OPRM1DPP4DPP9DPP7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101087754-B | Cyclohexane derivatives | HOFFMANN LA ROCHE | 2012-01-18 | — | — | CN | claimed |
| CN-101087754-A | Novel cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 2007-12-12 | — | — | CN | claimed |
| US-7253282-B2 | Hexafluoroisopropanol substituted cyclohexane derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | claimed |
| US-20060135601-A1 | Novel hexafluoroisopropanol substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. | 2006-06-22 | — | — | US | claimed |
| CN-101087754-B | Cyclohexane derivatives | HOFFMANN LA ROCHE | 2012-01-18 | — | — | CN | disclosed |
| CN-101087754-A | Novel cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 2007-12-12 | — | — | CN | disclosed |
| EP-1831158-A1 | NOVEL CYCLOHEXANE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-09-12 | — | — | EP | disclosed |
| US-7253282-B2 | Hexafluoroisopropanol substituted cyclohexane derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| WO-2006066779-A1 | NOVEL CYCLOHEXANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-06-29 | — | — | WO | disclosed |
| US-20060135601-A1 | Novel hexafluoroisopropanol substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. | 2006-06-22 | — | — | 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-20060135601-A1 | Novel hexafluoroisopropanol substituted cyclohexane derivatives | NR1H3, NR1H2, NR1I2 | SLC6A2 3185/4885SLC6A4 2782/4885LTA4H 1184/4885 |
“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.