Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL1993271 | 0.93 | LMNA (0.39) | METALDH1A1KDM4ELMNAMAPT | |
| Benzene SCHEMBL1987902 | 0.88 | PDE10A (0.39) | ALDH1A1KDM4ELMNAMAPTMEN1 | |
| SCHEMBL31554007 | 0.76 | MET (0.47) | METALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL259847 | 0.72 | HTT (0.49) | METALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL31554025 | 0.69 | MET (0.40) | METALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL21162487 | 0.67 | PRKDC (0.47) | METALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL1990705 | 0.66 | ALDH1A1 (0.43) | METALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL6881042 | 0.66 | MAP4K4 (0.55) | METALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL22085147 | 0.65 | PIK3CA (0.60) | METALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL31553979 | 0.65 | LMNA (0.36) | METALDH1A1KDM4ELMNAMAPT |
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 10 patents. 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 |
| US-8586581-B2 | Ethynyl compounds useful for treatment of CNS disorders | Hoffmann-La Roche Inc (US) | 2013-11-19 | — | — | US | claimed |
| EP-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | 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 |
| 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-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-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 (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-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | GRM5, GRIK5, GRM1 | MET 518/4885ALDH1A1 3951/4885KDM4E 1409/4885 |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | GRM5, GRIK5, GRM1 | MET 486/4885ALDH1A1 3949/4885KDM4E 1296/4885 |
“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.