Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28375474 | 1.00 | SLC13A5 (0.41) | SLC13A5MAPK1CYP2C19HIF1AKMT2A | |
| SCHEMBL28885876 | 0.83 | KMT2A (0.35) | SLC13A5MAPK1CYP2C19KMT2AL3MBTL1 | |
| SCHEMBL22071582 | 0.73 | COMT (0.35) | HTTKDM4E | |
| SCHEMBL28374189 | 0.72 | CYP2C19 (0.33) | SLC13A5CYP2C19HIF1AKDM4EHMGCR | |
| SCHEMBL18074498 | 0.72 | CYP2C19 (0.33) | SLC13A5CYP2C19HIF1AKDM4EHMGCR | |
| SCHEMBL18074326 | 0.71 | CYP17A1 (0.37) | CYP2C19HIF1AKDM4EHMGCRCHRM1 | |
| SCHEMBL28373737 | 0.71 | CYP17A1 (0.37) | CYP2C19HIF1AKDM4EHMGCRCHRM1 | |
| SCHEMBL28773136 | 0.69 | CYP2C19 (0.44) | CYP2C19HIF1AKDM4EHMGCRCHRM1 | |
| SCHEMBL17047180 | 0.69 | CYP2C19 (0.44) | CYP2C19HIF1AKDM4EHMGCRCHRM1 | |
| SCHEMBL19857578 | 0.69 | COMT (0.35) | SLC13A5CYP2C19KMT2AL3MBTL1HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10065956-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2018-09-04 | — | — | US | disclosed |
| EP-3271353-A1 | 3-(4-ETHYNYLPHENYL)HEXAHYDROPYRIMIDIN-2,4-DIONE DERIVATIVES AS MODULATORS OF MGLUR4 | F. Hoffmann-La Roche AG (CH) | 2018-01-24 | — | — | EP | disclosed |
| US-20180002333-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-01-04 | — | — | US | disclosed |
| WO-2016146600-A1 | 3-(4-ETHYNYLPHENYL)HEXAHYDROPYRIMIDIN-2,4-DIONE DERIVATIVES AS MODULATORS OF MGLUR4 | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-22 | — | — | 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-20180002333-A1 | ETHYNYL DERIVATIVES | SNCA, DRD2, NLN | SLC13A5 3434/4885MAPK1 2928/4885CYP2C19 2714/4885 |
| US-10065956-B2 | Ethynyl derivatives | MC5R, MC4R, MC2R | SLC13A5 710/4885MAPK1 762/4885CYP2C19 1329/4885 |
“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.