Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.34 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.34 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20525417 | 0.87 | FGFR1 (0.32) | OPRK1KCNH2SYK | |
| SCHEMBL20525409 | 0.86 | OPRK1 (0.41) | OPRK1KCNH2LMNA | |
| SCHEMBL20525353 | 0.85 | HDAC1 (0.41) | MAPTLMNA | |
| SCHEMBL18125640 | 0.84 | LTA4H (0.41) | POLBJAK2JAK1TYK2JAK3 | |
| SCHEMBL18108966 | 0.84 | LTA4H (0.41) | POLBJAK2JAK1TYK2JAK3 | |
| SCHEMBL20525329 | 0.83 | GHSR (0.43) | OPRK1JAK2JAK1MAPTLMNA | |
| SCHEMBL20525472 | 0.82 | CYP3A4 (0.40) | OPRK1JAK2JAK1MAPTLMNA | |
| SCHEMBL16804294 | 0.82 | HDAC6 (0.46) | OPRK1LTA4H | |
| SCHEMBL20525436 | 0.80 | FGFR1 (0.32) | — | |
| SCHEMBL20525428 | 0.79 | KDM4E (0.47) | JAK1 |
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 |