Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10168904 | 0.85 | CA12 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8024770 | 0.84 | CA12 (0.46) | CA12CA1CA2CA9CA14 | |
| SCHEMBL24732028 | 0.84 | CA12 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8563919 | 0.84 | CA12 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL12979507 | 0.84 | CA12 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL109451 | 0.82 | CA1 (0.61) | CA12CA1CA2CA9CA14 | |
| SCHEMBL4443089 | 0.82 | CA12 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6918922 | 0.82 | CA12 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5792477 | 0.82 | CA12 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8570054 | 0.81 | NR1H4 (0.50) | CA12CA1CA2CA9CA14 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773330-B1 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME (US) | 2010-05-26 | — | — | EP | disclosed |
| US-7625938-B2 | Substituted pyrazoles, compositions containing such compounds and methods of use | MERCK & CO., INC. (US) | 2009-12-01 | — | — | US | disclosed |
| EP-1773330-A4 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| US-20080108620-A1 | Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use | MERCK & CO., INC. (US) | 2008-05-08 | — | — | US | disclosed |
| EP-1773330-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006014618-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2006-02-09 | — | — | 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-20080108620-A1 | Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use | GLP1R, GCGR, GPR119 | CA12 3482/4885CA1 3219/4885CA2 1504/4885 |
“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.