Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | MELK | Q14680 | 2/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20525429 | 0.90 | CHUK (0.39) | PARP1PARP2PARP3DRD2HTR6 | |
| SCHEMBL20525552 | 0.88 | DRD2 (0.36) | PARP1DRD2HTR6HSP90AA1GRM2 | |
| SCHEMBL20525337 | 0.87 | FGFR1 (0.34) | PARP1PARP2DRD2HTR6FGFR1 | |
| SCHEMBL20525349 | 0.87 | SCN9A (0.46) | PARP1PARP2 | |
| SCHEMBL20525467 | 0.87 | FGFR1 (0.34) | DRD2HTR6GRM2FGFR1FGFR4 | |
| SCHEMBL20525347 | 0.86 | JAK1 (0.47) | DRD2 | |
| SCHEMBL20525413 | 0.82 | PARP1 (0.47) | PARP1PARP2PARP3CHEK1AURKA | |
| SCHEMBL20525400 | 0.82 | PARP1 (0.41) | PARP1PARP2PARP3CHEK1MAP3K11 | |
| SCHEMBL18108847 | 0.81 | CHKA (0.51) | — | |
| SCHEMBL18108939 | 0.81 | HDAC6 (0.57) | — |
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 |