Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 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 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2642853 | 1.00 | SMN1; SMN2 (0.59) | SMN1; SMN2RAB9ANPC1GAAKMT2A | |
| SCHEMBL2645369 | 1.00 | SMN1; SMN2 (0.59) | SMN1; SMN2RAB9ANPC1GAAKMT2A | |
| SCHEMBL2644053 | 0.88 | CA1 (0.56) | SMN1; SMN2RAB9ANPC1GAAKMT2A | |
| SCHEMBL2654331 | 0.82 | NR1H4 (0.54) | SMN1; SMN2RAB9ANPC1KDM4EALDH1A1 | |
| Benmoxin SCHEMBL8759658 | 0.81 | GPR139 (0.55) | SMN1; SMN2RAB9ANPC1KMT2AKDM4E | |
| Benmoxin SCHEMBL8760295 | 0.81 | GPR139 (0.55) | SMN1; SMN2RAB9ANPC1KMT2AKDM4E | |
| Benmoxin SCHEMBL54431 | 0.81 | GPR139 (0.55) | SMN1; SMN2RAB9ANPC1KMT2AKDM4E | |
| SCHEMBL2662356 | 0.79 | NAMPT (0.54) | SMN1; SMN2RAB9ANPC1GAAKMT2A | |
| SCHEMBL2662884 | 0.79 | CA1 (0.49) | SMN1; SMN2RAB9ANPC1GAAKMT2A | |
| SCHEMBL2662885 | 0.79 | CA1 (0.49) | SMN1; SMN2RAB9ANPC1GAAKMT2A |
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 9 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 |
| 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 |
| 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 |
| US-20080108620-A1 | Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use | MERCK & CO., INC. (US) | 2008-05-08 | — | — | US | disclosed |
| US-20070088070-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PARMEE EMMA R | 2007-04-19 | — | — | 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 (4 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-20070088070-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | SMN1; SMN2 2913/4885RAB9A 3180/4885NPC1 552/4885 |
| US-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | SMN1; SMN2 2913/4885RAB9A 3180/4885NPC1 552/4885 |
| US-20080108620-A1 | Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use | GLP1R, GCGR, GPR119 | SMN1; SMN2 4364/4885RAB9A 4102/4885NPC1 2251/4885 |
| 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 | SMN1; SMN2 1736/4885RAB9A 3293/4885NPC1 505/4885 |
“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.