Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL20420946 | 1.00 | HDAC1 (0.50) | HDAC1HDAC6HRH3S1PR1S1PR5 | |
| SCHEMBL20420884 | 0.90 | S1PR5 (0.53) | HDAC1HDAC6HRH3S1PR1S1PR5 | |
| SCHEMBL20420981 | 0.89 | HDAC1 (0.60) | HDAC1HDAC6S1PR1S1PR5LTA4H | |
| SCHEMBL20420931 | 0.89 | HDAC1 (0.60) | HDAC1HDAC6S1PR1S1PR5LTA4H | |
| SCHEMBL20421057 | 0.89 | HDAC1 (0.60) | HDAC1HDAC6S1PR1S1PR5LTA4H | |
| SCHEMBL17078992 | 0.88 | HDAC6 (0.66) | HDAC1HDAC6KCNH2 | |
| SCHEMBL17078589 | 0.88 | OPRM1 (0.49) | HDAC1HDAC6OPRM1OPRD1MEN1 | |
| SCHEMBL20433047 | 0.88 | HDAC6 (0.66) | HDAC1HDAC6KCNH2 | |
| SCHEMBL17078469 | 0.88 | HDAC6 (0.66) | HDAC1HDAC6KCNH2 | |
| SCHEMBL17078701 | 0.88 | OPRM1 (0.49) | HDAC1HDAC6OPRM1OPRD1MEN1 |
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 |