Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PANK1 | Q8TE04 | 1/20 | 0.33 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | SLC13A5 | Q86YT5 | 3/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18074284 | 0.72 | KDM4E (0.42) | TBXA2RKDM5AKDM4CPTGDR2 | |
| SCHEMBL570108 | 0.70 | KDM4E (0.41) | MAOBALDH1A1KDM5AKDM4CKDM5B | |
| SCHEMBL18074292 | 0.69 | SSTR4 (0.46) | ALDH1A1CYP2C19HIF1ASSTR4 | |
| SCHEMBL28885868 | 0.69 | SSTR4 (0.46) | ALDH1A1CYP2C19HIF1ASSTR4 | |
| SCHEMBL28369089 | 0.67 | SSTR4 (0.48) | ALDH1A1MAPK1TP53SSTR4KDM5A | |
| SCHEMBL28369090 | 0.67 | SSTR4 (0.48) | ALDH1A1MAPK1TP53SSTR4KDM5A | |
| SCHEMBL28375474 | 0.66 | SLC13A5 (0.41) | MAPK1CYP2C19HIF1ATBXA2RKDM4C | |
| SCHEMBL18074367 | 0.66 | SLC13A5 (0.41) | MAPK1CYP2C19HIF1ATBXA2RKDM4C | |
| SCHEMBL18074498 | 0.64 | CYP2C19 (0.33) | CYP2C19HIF1ATBXA2RSLC13A5 | |
| SCHEMBL28374189 | 0.64 | CYP2C19 (0.33) | CYP2C19HIF1ATBXA2RSLC13A5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |