Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KDM6B | O15054 | 1/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 6/20 | 0.38 |
| ▸ | CNR2 | P34972 | 6/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL11922110 | 0.76 | DYRK1A (0.47) | KDM4EKDM6BKDM5AKDM4CS1PR1 | |
| SCHEMBL18074311 | 0.72 | CYP1A2 (0.34) | KDM5AKDM4CPTGDR2TBXA2R | |
| SCHEMBL23937871 | 0.71 | DYRK1A (0.46) | KDM4EKDM6BKDM5AKDM4CELANE | |
| SCHEMBL2012994 | 0.70 | KDM4E (0.60) | KDM4EKDM6BKDM5AKDM4CELANE | |
| SCHEMBL25562787 | 0.70 | KDM4E (0.47) | KDM4EKDM6BKDM5AKDM4CELANE | |
| SCHEMBL22559023 | 0.69 | KDM4E (0.50) | KDM4EKDM6BKDM5AKDM4CELANE | |
| SCHEMBL15077828 | 0.68 | BRD4 (0.56) | KDM4EKDM6BKDM5AKDM4CELANE | |
| SCHEMBL25357210 | 0.68 | MAPT (0.51) | KDM4EKDM6BKDM5AKDM4CCNR1 | |
| SCHEMBL30834631 | 0.68 | MAPT (0.51) | KDM4EKDM6BKDM5AKDM4CCNR1 | |
| SCHEMBL25357208 | 0.68 | MAPT (0.51) | KDM4EKDM6BKDM5AKDM4CCNR1 |
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 |