Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 4/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | AR | P10275 | 3/20 | 0.54 |
| ▸ | PPARD | Q03181 | 3/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL16178165 | 0.90 | ESR1 (0.64) | VDRHDAC6HDAC3ARPPARD | |
| SCHEMBL15059230 | 0.89 | VDR (0.64) | VDRHDAC6HDAC3ARESR1 | |
| SCHEMBL16177773 | 0.87 | VDR (0.89) | VDRHDAC6HDAC3AR | |
| SCHEMBL16178339 | 0.86 | HDAC6 (0.76) | VDRHDAC6HDAC3ARHDAC1 | |
| SCHEMBL16178304 | 0.86 | HDAC6 (0.76) | VDRHDAC6HDAC3ARPPARD | |
| SCHEMBL4507201 | 0.85 | VDR (0.60) | VDRHDAC6HDAC3PPARDNR1H4 | |
| SCHEMBL16178443 | 0.84 | ESR1 (0.70) | VDRHDAC6HDAC3ARHDAC1 | |
| SCHEMBL15059560 | 0.83 | HDAC6 (0.77) | VDRHDAC6HDAC3ARHDAC1 | |
| SCHEMBL15059561 | 0.82 | VDR (0.60) | VDRHDAC6HDAC3ARHDAC1 | |
| SCHEMBL17896571 | 0.81 | CYP2C19 (0.72) | VDRPPARD |
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 |