Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.34 |
| ▸ | STAT6 | P42226 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | HTR6 | P50406 | 4/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | 0.89 | PARP1 (0.41) | EGLN1PARP1PARP2PARP3TBK1 | |
| SCHEMBL20525339 | 0.88 | PARP1 (0.41) | STAT6EGLN1PARP1PARP2PARP3 | |
| SCHEMBL18108907 | 0.84 | CHKA (0.40) | MC4RKDM4EMEN1KMT2A | |
| SCHEMBL18109130 | 0.84 | HDAC6 (0.43) | — | |
| SCHEMBL20525424 | 0.83 | EGLN1 (0.38) | MAOBMAOAEGLN1GLO1 | |
| SCHEMBL20525358 | 0.82 | EGLN1 (0.42) | EGLN1PARP1 | |
| SCHEMBL20525317 | 0.81 | EGLN1 (0.39) | EGLN1GLO1 | |
| SCHEMBL20525414 | 0.81 | PARP1 (0.42) | EGLN1PARP1PARP2KDM4EKMT2A | |
| SCHEMBL20525438 | 0.81 | DRD2 (0.42) | DRD2EGLN1 | |
| SCHEMBL20525454 | 0.81 | SYK (0.42) | EGLN1PARP1PARP2PARP3TBK1 |
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 |