Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | STAT6 | P42226 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 2/20 | 0.36 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20525400 | 0.96 | PARP1 (0.41) | PARP1PARP2PARP3TBK1PDK1 | |
| SCHEMBL20525460 | 0.91 | PARP1 (0.41) | PARP1PARP2PARP3TBK1PDK1 | |
| SCHEMBL20525475 | 0.89 | JAK1 (0.47) | JAK1 | |
| SCHEMBL20525414 | 0.88 | PARP1 (0.42) | PARP1PARP2EGLN1 | |
| SCHEMBL20525459 | 0.88 | MC4R (0.35) | PARP1PARP2PARP3TBK1EGLN1 | |
| SCHEMBL20525358 | 0.88 | EGLN1 (0.42) | PARP1EGLN1 | |
| SCHEMBL20525405 | 0.88 | PARP1 (0.45) | PARP1PARP2JAK1 | |
| SCHEMBL20525424 | 0.87 | EGLN1 (0.38) | EGLN1GLO1 | |
| SCHEMBL20525317 | 0.87 | EGLN1 (0.39) | EGLN1GLO1 | |
| SCHEMBL20525438 | 0.86 | DRD2 (0.42) | EGLN1MCHR1JAK1 |
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-3080125-B1 | NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-10-10 | — | — | EP | disclosed |