Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | HTR6 | P50406 | 4/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 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 | |
|---|---|---|---|---|
| SCHEMBL20525346 | 0.89 | SMN1; SMN2 (0.43) | PARP1RPS6KB1AKT1 | |
| SCHEMBL20525448 | 0.84 | RPS6KB1 (0.41) | PARP1DRD2HTR6RPS6KB1AKT1 | |
| SCHEMBL18108989 | 0.81 | HDAC6 (0.43) | CHRM2 | |
| SCHEMBL20525450 | 0.81 | F12 (0.36) | PARP1DRD2HTR6RPS6KB1FGFR1 | |
| SCHEMBL18108884 | 0.80 | CHRM2 (0.40) | CHRM2SLC6A9 | |
| SCHEMBL20525447 | 0.80 | HTR6 (0.41) | PARP1DRD2HTR6FGFR1FGFR4 | |
| SCHEMBL20525410 | 0.79 | ENPP2 (0.36) | GRM2DRD2HTR6RPS6KB1AKT1 | |
| SCHEMBL20525423 | 0.79 | SCN9A (0.42) | PARP1DRD2HTR6 | |
| SCHEMBL20525353 | 0.77 | HDAC1 (0.41) | KLKB1DRD2HTR6 | |
| SCHEMBL20525428 | 0.75 | KDM4E (0.47) | KLKB1DRD2HTR6GPR52 |
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 |