Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.56 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17078715 | 1.00 | HDAC1 (0.59) | HDAC1HDAC6HIF1AEPAS1HDAC4 | |
| SCHEMBL17078540 | 0.92 | HDAC6 (0.66) | HDAC1HDAC6HIF1AEPAS1HDAC4 | |
| SCHEMBL17078462 | 0.88 | SMN1; SMN2 (0.61) | HIF1AEPAS1ALDH1A1NPC1RAB9A | |
| SCHEMBL17078582 | 0.88 | HDAC1 (0.74) | HDAC1HDAC6HIF1AEPAS1HDAC4 | |
| SCHEMBL20432838 | 0.84 | HDAC1 (0.68) | HDAC1HDAC6HDAC4KCNH2ALDH1A1 | |
| SCHEMBL17078507 | 0.84 | HDAC1 (0.68) | HDAC1HDAC6HDAC4KCNH2ALDH1A1 | |
| SCHEMBL17078877 | 0.84 | HDAC6 (0.74) | HDAC1HDAC6HIF1AEPAS1HDAC4 | |
| SCHEMBL20420909 | 0.83 | CYP2A13 (0.51) | HIF1AEPAS1ALDH1A1NPC1RAB9A | |
| SCHEMBL17078846 | 0.83 | NPC1 (0.56) | HDAC1HDAC6HIF1AEPAS1HDAC4 | |
| SCHEMBL20432675 | 0.83 | NPC1 (0.56) | HDAC1HDAC6HIF1AEPAS1HDAC4 |
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-3116859-B1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-08-01 | — | — | EP | disclosed |