Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 12/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5682405 | 1.00 | VDR (0.50) | VDRHDAC6HDAC3HDAC2CYP24A1 | |
| SCHEMBL5682508 | 0.88 | VDR (0.49) | VDRHDAC6CYP24A1 | |
| SCHEMBL7566817 | 0.88 | VDR (0.49) | VDRHDAC6CYP24A1 | |
| SCHEMBL5573005 | 0.88 | HDAC6 (0.64) | VDRHDAC6HDAC3HDAC2CYP24A1 | |
| SCHEMBL5682663 | 0.86 | VDR (0.52) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL5681120 | 0.85 | VDR (0.50) | VDRHDAC6HDAC3HDAC2CYP24A1 | |
| SCHEMBL5682605 | 0.85 | VDR (0.51) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL5681178 | 0.85 | VDR (0.53) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL5681058 | 0.85 | VDR (0.53) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL5685274 | 0.85 | VDR (0.53) | VDRHDAC6HDAC3HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1210327-A2 | NEW VITAMIN D DERIVATIVES WITH CYCLIC SUBSTRUCTURES IN THE SIDE CHAINS, METHOD AND INTERMEDIATES FOR THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS | Schering Aktiengesellschaft (DE) | 2002-06-05 | — | — | EP | disclosed |
| WO-2001007405-A2 | NEW VITAMIN D DERIVATIVES WITH CYCLIC SUBSTRUCTURES IN THE SIDE CHAINS, METHOD AND INTERMEDIATES FOR THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS | SCHERING AKTIENGSELLSCHAFT (DE) | 2001-02-01 | — | — | WO | disclosed |