Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 7/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | SYK | P43405 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL20525349 | 0.88 | SCN9A (0.46) | SCN9ASCN5AKCNH2PARP1OPRM1 | |
| SCHEMBL20525429 | 0.88 | CHUK (0.39) | DRD2HTR6SCN9ASCN5AFGFR1 | |
| SCHEMBL20525360 | 0.88 | PARP1 (0.39) | DRD2HTR6FGFR1FGFR4GRM2 | |
| SCHEMBL20525337 | 0.87 | FGFR1 (0.34) | DRD2HTR6SCN9ASCN5AFGFR1 | |
| SCHEMBL20525467 | 0.86 | FGFR1 (0.34) | DRD2HTR6SCN9ASCN5AFGFR1 | |
| SCHEMBL20525347 | 0.86 | JAK1 (0.47) | DRD2SYK | |
| SCHEMBL20525424 | 0.82 | EGLN1 (0.38) | FGFR1FGFR4SYKAKT1AKT2 | |
| SCHEMBL16804423 | 0.80 | HDAC1 (0.46) | KCNH2 | |
| SCHEMBL16804420 | 0.79 | KDM4E (0.43) | SCN9ASCN5AKCNH2 | |
| SCHEMBL20525434 | 0.77 | OPRM1 (0.35) | FGFR1FGFR4KCNH2SYKOPRM1 |
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 |