Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 13/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | AR | P10275 | 6/20 | 0.47 |
| ▸ | ESR1 | P03372 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5159678 | 0.87 | VDR (0.54) | VDRHDAC3HDAC6ARESR1 | |
| SCHEMBL5156660 | 0.85 | HDAC6 (0.52) | VDRHDAC3HDAC6ARESR1 | |
| SCHEMBL5155789 | 0.84 | HDAC6 (0.52) | VDRHDAC3HDAC6ARESR1 | |
| SCHEMBL5154482 | 0.83 | VDR (0.77) | VDRHDAC3HDAC6AR | |
| SCHEMBL5153777 | 0.82 | VDR (0.78) | VDRAR | |
| SCHEMBL1052998 | 0.82 | VDR (0.78) | VDRAR | |
| SCHEMBL1057856 | 0.81 | VDR (0.46) | VDRHDAC3HDAC6ARESR1 | |
| SCHEMBL5155829 | 0.80 | VDR (0.47) | VDRHDAC3HDAC6ARESR1 | |
| SCHEMBL1053011 | 0.79 | ESR1 (0.65) | VDRARESR1 | |
| SCHEMBL5159121 | 0.78 | ESR1 (0.49) | VDRHDAC3HDAC6ESR1 |
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-1675812-A2 | BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005037755-A2 | BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS | X-CEPTOR THERAPEUTICS, INC. (US) | 2005-04-28 | — | — | WO | disclosed |