Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2662884 | 1.00 | CA1 (0.49) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2644053 | 0.85 | CA1 (0.56) | CA1CA2CA12ESR1CA7 | |
| Trifluoroacetic Acid SCHEMBL4699009 | 0.83 | DPP4 (0.46) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2642919 | 0.82 | NAMPT (0.45) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2643045 | 0.82 | NAMPT (0.45) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2662875 | 0.81 | CA1 (0.48) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2642779 | 0.81 | CA1 (0.48) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2662356 | 0.79 | NAMPT (0.54) | CA1CA2CA12ESR1CA7 | |
| Trifluoroacetic Acid SCHEMBL2643044 | 0.79 | DPP4 (0.50) | CA1CA2CA12ESR1CA7 | |
| Trifluoroacetic Acid SCHEMBL2642916 | 0.79 | DPP4 (0.50) | CA1CA2CA12ESR1CA7 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | CA1 4422/4885CA2 2358/4885CA12 3535/4885 |
| 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 | CA1 3860/4885CA2 2504/4885CA12 4571/4885 |
“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.