Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL365659 | 0.82 | ALDH1A1 (0.48) | AADATCYP11B2GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL6837301 | 0.82 | ALDH1A1 (0.48) | AADATCYP11B2GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL15182483 | 0.81 | CYP11B2 (0.58) | AADATCYP11B2GAAALDH1A1CMA1 | |
| SCHEMBL365849 | 0.81 | AADAT (0.44) | AADATCYP11B2GAAALDH1A1CMA1 | |
| SCHEMBL366655 | 0.79 | AADAT (0.46) | AADATGAAALDH1A1SMN1; SMN2POLB | |
| SCHEMBL7670133 | 0.78 | AADAT (0.47) | AADATCYP11B2GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL366071 | 0.76 | AADAT (0.50) | AADATCYP11B2GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL365744 | 0.76 | AADAT (0.47) | AADATCYP11B2GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL367366 | 0.75 | AADAT (0.47) | AADATGAAALDH1A1SMN1; SMN2POLB | |
| SCHEMBL29191609 | 0.74 | AADAT (0.51) | AADATCYP11B2GAAALDH1A1SMN1; SMN2 |
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 | AADAT 837/4885CYP11B2 1445/4885GAA 2817/4885 |
“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.