Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL16326257 | 0.92 | KEAP1 (0.55) | KEAP1NFE2L2EPHX2CHRNB2CHRNB4 | |
| SCHEMBL23016392 | 0.91 | KEAP1 (0.57) | KEAP1NFE2L2EPHX2CHRNB2CHRNB4 | |
| SCHEMBL24340632 | 0.85 | KEAP1 (0.60) | KEAP1NFE2L2EPHX2CHRNB2CHRNB4 | |
| SCHEMBL9502456 | 0.85 | CHRNB2 (0.56) | KEAP1NFE2L2EPHX2CHRNB2CHRNB4 | |
| SCHEMBL9795185 | 0.82 | KEAP1 (0.36) | KEAP1NFE2L2EPHX2CHRNB2CHRNB4 | |
| SCHEMBL15680573 | 0.79 | KEAP1 (0.66) | KEAP1NFE2L2EPHX2 | |
| SCHEMBL641051 | 0.78 | CASP2 (0.55) | KEAP1NFE2L2EPHX2 | |
| SCHEMBL14813172 | 0.77 | EPHX2 (0.45) | KEAP1NFE2L2EPHX2TDP1 | |
| SCHEMBL11929599 | 0.77 | EPHX2 (0.45) | KEAP1NFE2L2EPHX2TDP1 | |
| SCHEMBL5242576 | 0.77 | HDAC3 (0.51) | KEAP1NFE2L2EPHX2CHRNB2CHRNB4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720882-B1 | PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORP (US) | 2011-01-05 | — | — | EP | disclosed |