Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 7/20 | 0.37 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2718514 | 0.98 | MAP4K4 (0.42) | MAP4K4ABL1MAPK8CSNK1A1CDK7 | |
| Toluene SCHEMBL9903320 | 0.92 | MAP4K4 (0.40) | MAP4K4ABL1MAPK8CSNK1A1CDK7 | |
| Cyclohexene SCHEMBL9903303 | 0.87 | MAP4K4 (0.36) | MAP4K4ABL1MAPK8CSNK1A1CDK7 | |
| SCHEMBL12540270 | 0.79 | MAP4K4 (0.42) | MAP4K4ABL1MAPK8CSNK1A1CDK7 | |
| SCHEMBL15720091 | 0.79 | MAP4K4 (0.46) | MAP4K4ABL1MAPK8CSNK1A1CDK7 | |
| SCHEMBL29937305 | 0.74 | MAP4K4 (0.42) | MAP4K4ABL1MAPK8CSNK1A1CDK7 | |
| SCHEMBL5953401 | 0.71 | HRH3 (0.51) | MAP4K4ABL1MAPK8CSNK1A1CDK7 | |
| Benzene SCHEMBL1991469 | 0.69 | APOBEC3A (0.51) | MAP4K4ABL1MAPK8TYRO3LRRK2 | |
| SCHEMBL23535657 | 0.68 | NPC1 (0.46) | MAP4K4ABL1MAPK8CSNK1A1CDK7 | |
| SCHEMBL1269053 | 0.68 | MAP4K4 (0.50) | MAP4K4ABL1MAPK8CSNK1A1CDK7 |
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 15 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-8933094-B2 | Ethynyl compounds useful for treatment of CNS disorder | HOFFMANN-LA ROCHE INC. (US) | 2015-01-13 | — | — | US | claimed |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | HOFFMANN-LA ROCHE INC. (US) | 2014-03-13 | — | — | US | 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 |
| 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-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 |
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 | MAP4K4 1932/4885ABL1 2470/4885MAPK8 1949/4885 |
| US-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | GRM5, GRIK5, GRM1 | MAP4K4 2154/4885ABL1 1808/4885MAPK8 2436/4885 |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | GRM5, GRIK5, GRM1 | MAP4K4 2437/4885ABL1 1819/4885MAPK8 2638/4885 |
“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.