Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 4/20 | 0.35 |
| ▸ | RARA | P10276 | 3/20 | 0.35 |
| ▸ | RARB | P10826 | 2/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 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 | |
|---|---|---|---|---|
| SCHEMBL20420994 | 0.92 | HDAC1 (0.43) | HDAC6HDAC1TBK1CSF1RRARA | |
| SCHEMBL17078691 | 0.90 | HDAC1 (0.49) | HDAC6HDAC1OPRM1OPRK1CYP2D6 | |
| SCHEMBL17078694 | 0.90 | HDAC6 (0.64) | HDAC6HDAC1CSF1RKIT | |
| SCHEMBL20421063 | 0.89 | HDAC1 (0.37) | HDAC6HDAC1OPRM1OPRK1BCL2 | |
| SCHEMBL20432730 | 0.88 | HDAC1 (0.42) | HDAC6HDAC1OPRM1OPRK1CSF1R | |
| SCHEMBL20420907 | 0.86 | MYC (0.37) | HDAC6HDAC1TBK1CSF1RRARA | |
| SCHEMBL20421133 | 0.83 | HDAC1 (0.39) | HDAC6HDAC1CSF1RS1PR5KDM1A | |
| SCHEMBL20421032 | 0.83 | HDAC1 (0.39) | HDAC6HDAC1CSF1RS1PR5KDM1A | |
| SCHEMBL17078593 | 0.81 | HDAC1 (0.43) | HDAC6HDAC1 | |
| SCHEMBL20432680 | 0.81 | HDAC6 (0.57) | HDAC6HDAC1CSF1RKIT |
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 |