Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1712067 | 1.00 | NR1H4 (0.54) | NR1H4PTGS2CNR1CNR2ENPP2 | |
| SCHEMBL2381422 | 0.91 | NR1H4 (0.57) | NR1H4PTGS2CNR1CNR2ENPP2 | |
| SCHEMBL1712371 | 0.91 | NR1H4 (0.57) | NR1H4PTGS2CNR1CNR2ENPP2 | |
| SCHEMBL2381928 | 0.89 | NR1H4 (0.59) | NR1H4PTGS2CNR1CNR2ENPP2 | |
| SCHEMBL2381096 | 0.88 | NR1H4 (0.52) | NR1H4CNR1CNR2MAPTCYP3A4 | |
| SCHEMBL2350391 | 0.88 | NR1H4 (0.52) | NR1H4CNR1CNR2MAPTCYP3A4 | |
| SCHEMBL1712594 | 0.88 | NR1H4 (0.52) | NR1H4CNR1CNR2MAPTCYP3A4 | |
| SCHEMBL1712375 | 0.87 | NR1H4 (0.56) | NR1H4PTGS2CNR1CNR2ENPP2 | |
| SCHEMBL2381245 | 0.86 | NR1H4 (0.54) | NR1H4CNR1CNR2ENPP2MAPT | |
| SCHEMBL1712368 | 0.86 | NR1H4 (0.59) | NR1H4PTGS2CNR1CNR2GABRA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2550254-A1 | CYCLOPENTYL - AND CYCLOHEPTYLPYRAZOLES AS FXR MODULATORS | F. Hoffmann-La Roche AG (CH) | 2013-01-30 | — | — | EP | disclosed |
| US-8252826-B2 | Cyclopentyl- and cycloheptylpyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-08-28 | — | — | US | disclosed |
| US-20110237628-A1 | CYCLOPENTYL- AND CYCLOHEPTYLPYRAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-09-29 | — | — | US | disclosed |
| WO-2011117163-A1 | CYCLOPENTYL - AND CYCLOHEPTYLPYRAZOLES AS FXR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-09-29 | — | — | 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-20110237628-A1 | CYCLOPENTYL- AND CYCLOHEPTYLPYRAZOLES | CYP1B1, CYP1A1, CYP4F3 | NR1H4 644/4885PTGS2 1088/4885CNR1 19/4885 |
“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.