Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 11/20 | 0.76 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.66 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.66 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.65 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL18269405 | 0.90 | VDR (0.76) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL18269408 | 0.90 | VDR (0.76) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL22394317 | 0.90 | VDR (0.78) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL18269397 | 0.90 | VDR (0.78) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL22394318 | 0.90 | VDR (0.78) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL18269404 | 0.90 | VDR (0.78) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL16743044 | 0.90 | VDR (0.78) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL13852413 | 0.87 | VDR (0.74) | VDRHDAC6HDAC3HDAC2CYP24A1 | |
| SCHEMBL4157673 | 0.87 | VDR (0.74) | VDRHDAC6HDAC3HDAC2CYP24A1 | |
| SCHEMBL12047912 | 0.86 | VDR (1.00) | VDRHDAC6HDAC3CYP24A1 |
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-3317250-B1 | (20S)-1ALPHA,25-DIHYDROXY-24,24-DIFLUORO-19-NOR-VITAMIN D3 ANALOGS AND THEIR PHARMACEUTICAL USES | WISCONSIN ALUMNI RES FOUND (US) | 2020-09-09 | — | — | EP | disclosed |