Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28446122 | 0.92 | TDP1 (0.41) | TDP1CYP3A4MCL1ACMSDKDM4E | |
| SCHEMBL30127822 | 0.92 | TDP1 (0.41) | TDP1CYP3A4MCL1ACMSDKDM4E | |
| SCHEMBL7569519 | 0.88 | CYP3A4 (0.48) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL132132 | 0.88 | CYP3A4 (0.48) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL30170447 | 0.88 | CYP3A4 (0.48) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL21751232 | 0.85 | HPRT1 (0.54) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL2344564 | 0.84 | GPR84 (0.40) | TDP1CYP3A4MCL1ACMSDKDM4E | |
| SCHEMBL29440576 | 0.84 | CYP3A4 (0.48) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL133687 | 0.84 | CYP3A4 (0.48) | TDP1CYP3A4DRD1ALDH1A1TSHR | |
| SCHEMBL7795653 | 0.81 | MAPT (0.43) | TDP1CYP3A4MCL1ACMSDKDM4E |
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-3174883-A1 | 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS | Janssen Pharmaceutica, N.V. (BE) | 2017-06-07 | — | — | EP | disclosed |
| WO-2016016395-A1 | 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS | JANSSEN PHARMACEUTICA NV (BE) | 2016-02-04 | — | — | WO | disclosed |