Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 12/20 | 0.60 |
| ▸ | AR | P10275 | 10/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL20059726 | 0.88 | VDR (0.57) | VDRARHDAC3HDAC6HDAC1 | |
| SCHEMBL20059951 | 0.83 | VDR (0.60) | VDRARHDAC3HDAC6HDAC1 | |
| SCHEMBL12764578 | 0.80 | VDR (0.68) | VDRARHDAC3HDAC6HDAC1 | |
| SCHEMBL5565463 | 0.80 | VDR (0.49) | VDRARHDAC3HDAC6HDAC1 | |
| SCHEMBL27714113 | 0.79 | VDR (0.57) | VDRARHDAC3HDAC6HDAC1 | |
| SCHEMBL5565459 | 0.78 | VDR (0.53) | VDRARHDAC3HDAC6 | |
| SCHEMBL16183084 | 0.77 | VDR (0.77) | VDRARHDAC3HDAC6HDAC1 | |
| SCHEMBL2949160 | 0.76 | VDR (0.75) | VDRARHDAC3HDAC6HDAC1 | |
| SCHEMBL15076968 | 0.76 | VDR (0.75) | VDRARHDAC3HDAC6HDAC1 | |
| SCHEMBL16178018 | 0.76 | VDR (0.75) | VDRARHDAC3HDAC6HDAC1 |
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-2794556-B1 | BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER | GLEASON JAMES L (CA) | 2018-04-18 | — | — | EP | disclosed |