Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 18/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.47 |
| ▸ | HTR1A | P08908 | 5/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8160624 | 0.88 | HRH3 (0.43) | HRH3KCNH2HTR1ASLC6A4HRH1 | |
| SCHEMBL10246397 | 0.87 | HRH3 (0.60) | HRH3KCNH2HTR1ASLC6A4HRH1 | |
| SCHEMBL8163729 | 0.86 | HRH3 (0.58) | HRH3KCNH2HTR1AALDH1A1MAPT | |
| SCHEMBL505037 | 0.84 | GRM5 (0.64) | ALDH1A1MAPT | |
| SCHEMBL10242676 | 0.82 | HRH3 (0.77) | HRH3KCNH2HTR1ASLC6A4HRH1 | |
| SCHEMBL8160622 | 0.80 | HRH3 (0.62) | HRH3KCNH2HTR1ADRD2DRD4 | |
| SCHEMBL8161014 | 0.79 | HRH3 (0.58) | HRH3KCNH2HTR1ASLC6A4HRH1 | |
| SCHEMBL8154132 | 0.77 | HRH3 (0.54) | HRH3KCNH2HTR1ASLC6A4HRH1 | |
| SCHEMBL8155724 | 0.77 | GRM5 (0.68) | HRH3KCNH2DRD2DRD4DRD3 | |
| SCHEMBL10190630 | 0.75 | GRM5 (0.62) | ALDH1A1MAPT |
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-20120028955-A1 | BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | VANDERBILT UNIVERSITY | 2012-02-02 | — | — | US | disclosed |
| US-20120028956-A1 | BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | VANDERBILT UNIVERSITY | 2012-02-02 | — | — | US | disclosed |
| US-8034806-B2 | Bicyclic mGluR5 positive allosteric modulators and methods of making and using same | VANDERBILT UNIVERSITY (US) | 2011-10-11 | — | — | US | disclosed |
| US-20090270362-A1 | BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | VANDERBILT UNIVERSITY | 2009-10-29 | — | — | 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 (3 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-20120028955-A1 | BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | GRM5, GRIK5, GRM1 | HRH3 838/4885KCNH2 903/4885HTR1A 123/4885 |
| US-20120028956-A1 | BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | GRM5, GRIK5, GRM1 | HRH3 838/4885KCNH2 903/4885HTR1A 123/4885 |
| US-20090270362-A1 | BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | GRM5, GRIK5, GRM1 | HRH3 838/4885KCNH2 903/4885HTR1A 123/4885 |
“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.