Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17079073 | 1.00 | HDAC1 (0.54) | HDAC1HDAC6TP53NPC1RAB9A | |
| SCHEMBL17078548 | 0.90 | GRIN2B (0.56) | TP53NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL17078858 | 0.88 | HDAC6 (0.54) | HDAC1HDAC6GRIN2BFAAHMAPT | |
| SCHEMBL20421019 | 0.88 | GRIN2B (0.67) | NPC1RAB9AGRIN2BFAAHHTT | |
| SCHEMBL17078700 | 0.87 | HDAC1 (0.57) | HDAC1HDAC6RAB9ASMN1; SMN2GRIN2B | |
| SCHEMBL20432784 | 0.87 | HDAC1 (0.68) | HDAC1HDAC6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17079056 | 0.87 | HDAC1 (0.68) | HDAC1HDAC6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20432713 | 0.87 | HDAC1 (0.57) | HDAC1HDAC6RAB9ASMN1; SMN2GRIN2B | |
| SCHEMBL17078735 | 0.86 | HDAC1 (0.58) | HDAC1HDAC6LMNAALDH1A1MAPT | |
| SCHEMBL17078474 | 0.86 | HDAC1 (0.59) | HDAC1HDAC6GRIN2BFAAH |
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 |