Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.65 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | NQO1 | P15559 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | AHR | P35869 | 1/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12126598 | 0.96 | CYP11B1 (0.61) | CYP11B1CYP11B2CYP1A2CYP2A6NQO1 | |
| SCHEMBL20544421 | 0.92 | CYP1A2 (0.73) | CYP11B1CYP11B2CYP1A2CYP2A6NQO1 | |
| SCHEMBL29629327 | 0.91 | NQO1 (0.68) | CYP11B1CYP11B2CYP1A2NQO1AKR1C3 | |
| SCHEMBL3825385 | 0.91 | NQO1 (0.68) | CYP11B1CYP11B2CYP1A2NQO1AKR1C3 | |
| SCHEMBL23458226 | 0.86 | NQO1 (0.62) | CYP11B1CYP11B2CYP1A2NQO1AKR1C3 | |
| SCHEMBL29779700 | 0.86 | NQO1 (0.62) | CYP11B1CYP11B2CYP1A2NQO1AKR1C3 | |
| SCHEMBL3821099 | 0.86 | NQO1 (0.62) | CYP11B1CYP11B2CYP1A2NQO1AKR1C3 | |
| SCHEMBL9744218 | 0.83 | ESR1 (0.50) | CYP11B1CYP11B2CYP1A2CYP2A6NQO1 | |
| SCHEMBL12454839 | 0.83 | NQO1 (0.52) | CYP11B1CYP11B2CYP1A2NQO1ESR1 | |
| SCHEMBL443070 | 0.83 | CYP1A2 (0.79) | CYP11B1CYP11B2CYP1A2CYP2A6NQO1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4020082-B1 | MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, COMPOUND, AND POLYMER | SHINETSU CHEMICAL CO (JP) | 2023-04-26 | — | — | EP | disclosed |
| EP-2674445-B1 | PROCESS FOR MANUFACTURING BRANCHED AROMATIC POLYCARBONATE RESIN WITH DESIRED DEGREE OF BRANCHING | MITSUBISHI GAS CHEMICAL CO (JP) | 2017-10-11 | — | — | EP | disclosed |
| 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 |
| US-4229274-A | PHOTOINITIATOR, PHOTOSENSITIZER, QUENCHER, AND COMPOUNDS CONTAINING ACRYLYLOXY GROUPS | PPG INDUSTRIES, INC. (US) | 1980-10-21 | — | — | 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 | CYP11B1 40/4885CYP11B2 8/4885CYP1A2 84/4885 |
| 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 | CYP11B1 139/4885CYP11B2 100/4885CYP1A2 281/4885 |
“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.