Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 11/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9903818 | 0.83 | GRM5 (0.37) | GRM5 | |
| SCHEMBL9903636 | 0.83 | GRM5 (0.47) | GRM5PDE10AMEN1KMT2APDGFRB | |
| SCHEMBL9903492 | 0.82 | GRM5 (0.36) | GRM5PDE10A | |
| SCHEMBL9903515 | 0.82 | GRM5 (0.43) | GRM5 | |
| SCHEMBL9902683 | 0.79 | GRM5 (0.36) | GRM5PDE10AFFAR1 | |
| SCHEMBL1997076 | 0.76 | APP (0.41) | GRM5APPADORA2AFFAR1PDGFRB | |
| SCHEMBL1991466 | 0.76 | KIT (0.51) | GRM5 | |
| SCHEMBL1990408 | 0.76 | PDE10A (0.35) | PDE10A | |
| SCHEMBL11469863 | 0.75 | MAP4K4 (0.54) | GRM5PDE10AMEN1NPC1RAB9A | |
| SCHEMBL6880856 | 0.72 | SMPD3 (0.44) | GRM5APPADORA2AMEN1NPC1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513102-B1 | ETHYNYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2015-08-19 | — | — | EP | claimed |
| EP-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | claimed |
| US-20120178742-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-07-12 | — | — | US | claimed |
| EP-2462142-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | Merz Pharma GmbH & Co. KGaA (DE) | 2012-06-13 | — | — | EP | claimed |
| US-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | HOFFMANN-LA ROCHE, INC. | 2011-06-23 | — | — | US | claimed |
| EP-2513102-B1 | ETHYNYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2015-08-19 | — | — | EP | disclosed |
| EP-2513102-B1 | ETHYNYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2015-08-19 | — | — | EP | disclosed |
| US-8933094-B2 | Ethynyl compounds useful for treatment of CNS disorder | HOFFMANN-LA ROCHE INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-8933094-B2 | Ethynyl compounds useful for treatment of CNS disorder | HOFFMANN-LA ROCHE INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-8933094-B2 | Ethynyl compounds useful for treatment of CNS disorder | HOFFMANN-LA ROCHE INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | HOFFMANN-LA ROCHE INC. (US) | 2014-03-13 | — | — | US | disclosed |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | HOFFMANN-LA ROCHE INC. (US) | 2014-03-13 | — | — | US | disclosed |
| US-8586581-B2 | Ethynyl compounds useful for treatment of CNS disorders | Hoffmann-La Roche Inc (US) | 2013-11-19 | — | — | US | disclosed |
| EP-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| US-20120178742-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-07-12 | — | — | US | disclosed |
| EP-2462142-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | Merz Pharma GmbH & Co. KGaA (DE) | 2012-06-13 | — | — | EP | disclosed |
| US-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | HOFFMANN-LA ROCHE, INC. | 2011-06-23 | — | — | US | disclosed |
| WO-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |
| US-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | HOFFMANN-LA ROCHE, INC. | 2011-06-23 | — | — | 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-20120178742-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | GRM5, GRIK5, GRM1 | GRM5 1/4885APP 1518/4885PDE10A 1480/4885 |
| US-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | GRM5, GRIK5, GRM1 | GRM5 1/4885APP 2631/4885PDE10A 772/4885 |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | GRM5, GRIK5, GRM1 | GRM5 1/4885APP 2811/4885PDE10A 771/4885 |
“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.