Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 18/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL12287843 | 0.84 | GRM5 (0.70) | GRM5 | |
| SCHEMBL14840445 | 0.82 | GRM5 (0.73) | GRM5 | |
| SCHEMBL14843336 | 0.82 | GRM5 (0.52) | GRM5CYP1A2CYP2D6 | |
| SCHEMBL14840395 | 0.75 | GRM5 (0.67) | GRM5 | |
| SCHEMBL12287841 | 0.72 | GRM5 (0.79) | GRM5 | |
| SCHEMBL14840160 | 0.71 | GRM5 (0.71) | GRM5 | |
| SCHEMBL14840552 | 0.70 | AR (0.47) | GRM5OPRM1OPRL1AR | |
| SCHEMBL14840266 | 0.70 | GRM5 (0.66) | GRM5 | |
| SCHEMBL2516590 | 0.69 | GRM5 (1.00) | GRM5 | |
| SCHEMBL2516262 | 0.69 | GRM5 (1.00) | GRM5 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763977-B1 | ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2016-02-24 | — | — | EP | disclosed |
| EP-2763977-B1 | ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2016-02-24 | — | — | EP | disclosed |
| US-8969338-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-03-03 | — | — | US | disclosed |
| US-8969338-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-03-03 | — | — | US | disclosed |
| US-8969338-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-03-03 | — | — | US | disclosed |
| US-20130090332-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130090332-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130090332-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-04-11 | — | — | US | disclosed |
| WO-2013050454-A1 | ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | 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-20130090332-A1 | ETHYNYL DERIVATIVES | GRM5, GRIK5, GRM1 | GRM5 1/4885OPRM1 75/4885OPRL1 86/4885 |
“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.