Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL30463126 | 1.00 | KMT2A (0.38) | KMT2AHAO1HRH4CYP11B2MIF | |
| SCHEMBL2765846 | 1.00 | KMT2A (0.38) | KMT2AHAO1HRH4CYP11B2MIF | |
| SCHEMBL389567 | 1.00 | KMT2A (0.38) | KMT2AHAO1HRH4CYP11B2MIF | |
| Water SCHEMBL2398687 | 0.98 | KMT2A (0.37) | KMT2AHAO1HRH4CYP11B2MIF | |
| SCHEMBL27721928 | 0.98 | KMT2A (0.37) | KMT2AHAO1HRH4CYP11B2MIF | |
| SCHEMBL27742479 | 0.98 | KMT2A (0.37) | KMT2AHAO1HRH4CYP11B2MIF | |
| SCHEMBL644676 | 0.98 | HRH4 (0.36) | KMT2AHAO1HRH4CYP11B2MIF | |
| SCHEMBL2633370 | 0.93 | — | — | |
| SCHEMBL1608843 | 0.89 | — | — | |
| SCHEMBL30864882 | 0.86 | ESR2 (0.38) | KMT2AHAO1KMOALDH1A1 |
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 12 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 |
| EP-2550254-A1 | CYCLOPENTYL - AND CYCLOHEPTYLPYRAZOLES AS FXR MODULATORS | F. Hoffmann-La Roche AG (CH) | 2013-01-30 | — | — | EP | disclosed |
| CN-102791695-A | Cyclopentyl-and cycloheptylpyrazoles as FXR modulators | HOFFMANN LA ROCHE | 2012-11-21 | — | — | CN | disclosed |
| CN-102791695-A | Cyclopentyl-and cycloheptylpyrazoles as FXR modulators | HOFFMANN LA ROCHE | 2012-11-21 | — | — | CN | disclosed |
| US-8252826-B2 | Cyclopentyl- and cycloheptylpyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-08-28 | — | — | US | disclosed |
| US-8252826-B2 | Cyclopentyl- and cycloheptylpyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-08-28 | — | — | US | 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 |
| 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 |
| WO-2011117163-A1 | CYCLOPENTYL - AND CYCLOHEPTYLPYRAZOLES AS FXR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-09-29 | — | — | WO | disclosed |
| US-6083969-A | 2,3-DIARYLPYRAZOLES FUSED WITH CYCLOALKANES AND CYCLOALKENES, USED AS CYCLOOXYGENASE-2 (COX-2) INHIBITOR | ORTHO-MCNEIL PHARACEUTICAL, INC. (US) | 2000-07-04 | — | — | 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-20110237628-A1 | CYCLOPENTYL- AND CYCLOHEPTYLPYRAZOLES | CYP1B1, CYP1A1, CYP4F3 | KMT2A 4052/4885HAO1 3448/4885HRH4 158/4885 |
“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.