Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHUK | O15111 | 3/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.39 |
| ▸ | CAMKK2 | Q96RR4 | 3/20 | 0.39 |
| ▸ | PARP1 | P09874 | 4/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20525360 | 0.90 | PARP1 (0.39) | PARP1PARP2PARP3HSP90AA1GRM2 | |
| SCHEMBL20525552 | 0.88 | DRD2 (0.36) | PARP1SYKHSP90AA1GRM2FGFR1 | |
| SCHEMBL20525349 | 0.87 | SCN9A (0.46) | PARP1PARP2JAK2KCNH2SCN5A | |
| SCHEMBL20525337 | 0.86 | FGFR1 (0.34) | CAMKK2PARP1PARP2SYKFGFR1 | |
| SCHEMBL20525467 | 0.85 | FGFR1 (0.34) | CAMKK2SYKGRM2FGFR1FGFR4 | |
| SCHEMBL20525347 | 0.85 | JAK1 (0.47) | SYKJAK2TYK2DRD2 | |
| SCHEMBL20525454 | 0.82 | SYK (0.42) | PARP1PARP2PARP3SYKHSP90AA1 | |
| SCHEMBL18109016 | 0.81 | HDAC1 (0.48) | NPC1RAB9ASMN1; SMN2KCNH2 | |
| SCHEMBL18108909 | 0.80 | SMN1; SMN2 (0.51) | NPC1LMNAMAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL18109047 | 0.80 | HDAC1 (0.46) | NPC1RAB9ASMN1; SMN2KCNH2 |
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 |