Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20420995 | 0.88 | PLA2G1B (0.55) | HDAC1HDAC6KDM4EMEN1KMT2A | |
| SCHEMBL17078444 | 0.88 | HDAC1 (0.54) | HDAC1HDAC6ADRB2KDM4ECYP2D6 | |
| SCHEMBL17078887 | 0.88 | HDAC1 (0.72) | HDAC1HDAC6CYP2D6CYP2C19MEN1 | |
| SCHEMBL20421142 | 0.87 | MGLL (0.45) | HDAC1HDAC6KDM4EMEN1KMT2A | |
| SCHEMBL20421200 | 0.87 | HSD11B1 (0.47) | HDAC1HDAC6POLBHSD11B1ALDH1A1 | |
| SCHEMBL20420890 | 0.84 | HDAC1 (0.58) | HDAC1HDAC6MEN1KMT2AALDH1A1 | |
| SCHEMBL20420975 | 0.84 | PLA2G1B (0.52) | HDAC1HDAC6KDM4EMEN1KMT2A | |
| SCHEMBL20420924 | 0.83 | GHSR (0.43) | HDAC1HDAC6KDM4EMEN1KMT2A | |
| SCHEMBL20420986 | 0.82 | HDAC1 (0.78) | HDAC1HDAC6KDM4EMEN1KMT2A | |
| SCHEMBL20420926 | 0.82 | GRIN2B (0.55) | HDAC1HDAC6KDM4EMEN1KMT2A |
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 |