Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.48 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6837301 | 1.00 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL366655 | 0.86 | AADAT (0.46) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL367366 | 0.84 | AADAT (0.47) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL365853 | 0.82 | AADAT (0.45) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL6837143 | 0.82 | AADAT (0.45) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL365004 | 0.82 | AADAT (0.43) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL366071 | 0.82 | AADAT (0.50) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL7670133 | 0.82 | AADAT (0.47) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL365744 | 0.82 | AADAT (0.47) | ALDH1A1SMN1; SMN2POLBAADATCMA1 | |
| SCHEMBL366198 | 0.82 | AADAT (0.42) | ALDH1A1SMN1; SMN2POLBAADATCMA1 |
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 | ALDH1A1 3331/4885SMN1; SMN2 2061/4885POLB 4521/4885 |
“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.