Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 8/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.60 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | PGR | P06401 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CDC25A | P30304 | 1/20 | 0.58 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7570677 | 1.00 | VDR (0.63) | VDRADORA3SLC6A2AGTR1HDAC6 | |
| SCHEMBL30452668 | 0.89 | VDR (0.79) | VDRADORA3SLC6A2AGTR1MAPT | |
| SCHEMBL7571453 | 0.89 | VDR (0.57) | VDRADORA3SLC6A2AGTR1MEN1 | |
| SCHEMBL7571458 | 0.89 | VDR (0.57) | VDRADORA3SLC6A2AGTR1MEN1 | |
| SCHEMBL8610933 | 0.86 | HDAC6 (0.62) | VDRADORA3SLC6A2AGTR1HDAC6 | |
| SCHEMBL3681975 | 0.86 | HDAC6 (0.62) | VDRADORA3SLC6A2AGTR1HDAC6 | |
| SCHEMBL14261171 | 0.85 | VDR (0.79) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL12190440 | 0.83 | VDR (0.65) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL9883779 | 0.83 | VDR (0.65) | VDRHDAC6HDAC3HDAC2 | |
| SCHEMBL8677057 | 0.82 | HDAC6 (0.56) | VDRADORA3SLC6A2AGTR1HDAC6 |
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 |