Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 10/20 | 0.42 |
| ▸ | PRKAA2 | P54646 | 10/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20525405 | 0.94 | PARP1 (0.45) | PARP1PARP2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL20525358 | 0.91 | EGLN1 (0.42) | PARP1EGLN1 | |
| SCHEMBL20525454 | 0.89 | SYK (0.42) | PARP1PARP2EGLN1 | |
| SCHEMBL20525400 | 0.89 | PARP1 (0.41) | PARP1PARP2EGLN1 | |
| SCHEMBL20525317 | 0.88 | EGLN1 (0.39) | EGLN1 | |
| SCHEMBL20525438 | 0.88 | DRD2 (0.42) | PIK3CAPRKAA2EGLN1DRD4 | |
| SCHEMBL20525546 | 0.87 | HDAC6 (0.36) | PIK3CAPRKAA2EGLN1 | |
| SCHEMBL20525424 | 0.87 | EGLN1 (0.38) | EGLN1 | |
| SCHEMBL20525414 | 0.86 | PARP1 (0.42) | PARP1PARP2EGLN1KDM4EDRD4 | |
| SCHEMBL20525322 | 0.86 | EGLN1 (0.35) | EGLN1 |
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 |