Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | IDE | P14735 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3230226 | 0.90 | CYP2C9 (0.58) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL5902214 | 0.84 | GLO1 (0.64) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL120746 | 0.84 | GLO1 (0.64) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL932966 | 0.84 | CYP2C9 (0.53) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL932967 | 0.84 | CYP2C9 (0.53) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL120745 | 0.84 | GLO1 (0.64) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL15565954 | 0.84 | CYP2C9 (0.53) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL18733161 | 0.82 | CYP2C9 (0.51) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL5902803 | 0.82 | CYP2C9 (0.51) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 | |
| SCHEMBL4099809 | 0.82 | CYP2C9 (0.51) | CYP2C9NPSR1GLO1ALDH1A1CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130252944-A1 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. | 2013-09-26 | — | — | US | disclosed |
| EP-2593277-A2 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012009000-A2 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA S.A. (CH) | 2012-01-19 | — | — | 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-20130252944-A1 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | GRM4, GRM1, GRM3 | CYP2C9 3001/4885NPSR1 324/4885GLO1 1888/4885 |
“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.