Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | PRKACG | P22612 | 1/20 | 0.38 |
| ▸ | PRKACB | P22694 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17853464 | 0.98 | CYP1A2 (0.39) | HRH4PRKACAPRKACGPRKACBCYP1A2 | |
| SCHEMBL18135535 | 0.83 | HRH4 (0.46) | HRH4KDM4EALDH1A1SMN1; SMN2PIM1 | |
| SCHEMBL5175874 | 0.82 | GAA (0.53) | CYP1A2MEN1KMT2ANUDT1MAPT | |
| Hydrochloric Acid SCHEMBL16825844 | 0.82 | HRH4 (0.44) | HRH4KDM4EALDH1A1SMN1; SMN2PIM1 | |
| SCHEMBL16825863 | 0.76 | AKT2 (0.41) | HRH4PIM1 | |
| SCHEMBL16825884 | 0.76 | TSHR (0.50) | CYP2C19MEN1KMT2ACYP2C9KDM4E | |
| SCHEMBL16825689 | 0.74 | NEK2 (0.47) | CYP2C19MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL16826300 | 0.73 | NEK2 (0.46) | CYP2C19MEN1KMT2AKDM4E | |
| SCHEMBL16826410 | 0.71 | GAA (0.62) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL16825972 | 0.71 | LMNA (0.51) | MEN1KMT2AMAPTKDM4EALDH1A1 |
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 7 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 | 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 |
| 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 (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 | HRH4 143/4885PRKACA 3116/4885PRKACG 2968/4885 |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | GRM5, GRIK5, GRM1 | HRH4 149/4885PRKACA 3057/4885PRKACG 3008/4885 |
“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.