Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15182504 | 0.84 | AADAT (0.46) | AADATKDM4EHKDC1HCRTR1HCRTR2 | |
| SCHEMBL365074 | 0.80 | AADAT (0.43) | AADATKDM4EHKDC1HCRTR1HCRTR2 | |
| SCHEMBL6837350 | 0.79 | AADAT (0.43) | AADATKDM4EHKDC1CMA1GAA | |
| SCHEMBL365625 | 0.78 | SIGMAR1 (0.41) | AADATKDM4EHKDC1SIGMAR1CMA1 | |
| SCHEMBL366177 | 0.76 | AADAT (0.41) | AADATKDM4EHKDC1CMA1MEN1 | |
| SCHEMBL365744 | 0.76 | AADAT (0.47) | AADATHCRTR1HCRTR2SIGMAR1CMA1 | |
| SCHEMBL366071 | 0.76 | AADAT (0.50) | AADATKDM4EHKDC1HCRTR1HCRTR2 | |
| SCHEMBL7670133 | 0.76 | AADAT (0.47) | AADATHCRTR1HCRTR2SIGMAR1CMA1 | |
| SCHEMBL367135 | 0.75 | AADAT (0.41) | AADATKDM4EHKDC1HCRTR1HCRTR2 | |
| SCHEMBL365659 | 0.75 | ALDH1A1 (0.48) | AADATCMA1MEN1KMT2AGAA |
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 4 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 |
| US-20130210807-A1 | Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. | MERCK SHARP & DOHME CORP. | 2013-08-15 | — | — | US | disclosed |
| WO-2012006760-A1 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012008999-A2 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 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 (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-20130210807-A1 | Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. | GRM3, GRM6, GRM1 | AADAT 3254/4885KDM4E 1020/4885HKDC1 3478/4885 |
| US-20130252944-A1 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | GRM4, GRM1, GRM3 | AADAT 837/4885KDM4E 1382/4885HKDC1 3266/4885 |
“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.