Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | PTGFR | P43088 | 4/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 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 | |
|---|---|---|---|---|
| SCHEMBL2644734 | 0.86 | ALPL (0.41) | ALPLCYP2A6ACHEKDM4EMAOA | |
| SCHEMBL14202870 | 0.79 | CYP2A6 (0.52) | CYP2A6ACHEKDM4EMAOAALDH1A1 | |
| SCHEMBL24150092 | 0.78 | HRH4 (0.39) | ALPLKDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL3120591 | 0.77 | KDM4E (0.53) | CYP2A6KDM4EALDH1A1HSD17B10SLC40A1 | |
| SCHEMBL2662889 | 0.77 | KDM4E (0.40) | ALPLACHEKDM4EALDH1A1HSD17B10 | |
| SCHEMBL4310484 | 0.77 | ACHE (0.55) | CYP2A6ACHEKDM4EALDH1A1HSD17B10 | |
| SCHEMBL29953669 | 0.76 | CA1 (0.44) | KDM4EALDH1A1HSD17B10SLC40A1 | |
| SCHEMBL2644418 | 0.76 | CA1 (0.44) | KDM4EALDH1A1HSD17B10SLC40A1 | |
| SCHEMBL29112147 | 0.75 | HPRT1 (0.52) | CYP2A6KDM4EALDH1A1HSD17B10SLC40A1 | |
| SCHEMBL24151175 | 0.72 | S1PR4 (0.39) | ALPLMAOAMAOBPTGFRHRH4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7799818-B2 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. (US) | 2010-09-21 | — | — | US | disclosed |
| US-7598285-B2 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK & CO., INC (US) | 2009-10-06 | — | — | US | disclosed |
| US-20090176854-A1 | N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance | MERCK SHARP & DOHME LLC | 2009-07-09 | — | — | US | disclosed |
| EP-1756064-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2008-05-14 | — | — | EP | disclosed |
| CN-1964947-A | Pyrazole derivatives, compositions containing the same and methods of use thereof | MERCK & CO INC (US) | 2007-05-16 | — | — | CN | disclosed |
| EP-1756064-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005121097-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| US-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME LLC | 2005-12-08 | — | — | 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 (2 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-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | ALPL 938/4885CYP2A6 441/4885ACHE 872/4885 |
| US-20090176854-A1 | N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance | GOT2, GOT1, IAPP | ALPL 252/4885CYP2A6 1484/4885ACHE 920/4885 |
“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.