Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | HTR6 | P50406 | 4/20 | 0.40 |
| ▸ | SRPK1 | Q96SB4 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP4 | P49662 | 1/20 | 0.38 |
| ▸ | CASP5 | P51878 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20525447 | 0.91 | HTR6 (0.41) | KDM4EALDH1A1PARP1DRD2HTR6 | |
| SCHEMBL20525346 | 0.89 | SMN1; SMN2 (0.43) | RPS6KB1KDM4EALDH1A1SMN1; SMN2PARP1 | |
| SCHEMBL20525353 | 0.87 | HDAC1 (0.41) | ALDH1A1DRD2HTR6MAPT | |
| SCHEMBL20525423 | 0.85 | SCN9A (0.42) | KDM4EALDH1A1PARP1PARP2DRD2 | |
| SCHEMBL20525430 | 0.84 | PARP1 (0.41) | RPS6KB1PARP1DRD2HTR6AKT1 | |
| SCHEMBL18108960 | 0.83 | HIF1A (0.47) | KDM4EALDH1A1SRPK1ACHEHIF1A | |
| SCHEMBL20525428 | 0.83 | KDM4E (0.47) | KDM4EALDH1A1DRD2HTR6SRPK1 | |
| SCHEMBL20525450 | 0.82 | F12 (0.36) | RPS6KB1PARP1PARP2DRD2HTR6 | |
| SCHEMBL18108967 | 0.82 | HIF1A (0.50) | SRPK1ACHEHIF1AEPAS1 | |
| SCHEMBL20525410 | 0.81 | ENPP2 (0.36) | RPS6KB1DRD2HTR6AKT1 |
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 |