Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 10/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.51 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | GC | P02774 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | RXRA | P19793 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL5685282 | 1.00 | VDR (0.51) | VDRMAPTADORA3SLC6A2AGTR1 | |
| SCHEMBL7570057 | 0.96 | VDR (0.49) | VDRMAPTADORA3SLC6A2AGTR1 | |
| SCHEMBL5682653 | 0.96 | VDR (0.49) | VDRMAPTADORA3SLC6A2AGTR1 | |
| SCHEMBL7570054 | 0.96 | VDR (0.49) | VDRMAPTADORA3SLC6A2AGTR1 | |
| SCHEMBL5680988 | 0.90 | VDR (0.51) | VDRMAPTADORA3SLC6A2AGTR1 | |
| SCHEMBL5682655 | 0.90 | VDR (0.51) | VDRMAPTADORA3SLC6A2AGTR1 | |
| SCHEMBL5682663 | 0.90 | VDR (0.52) | VDR | |
| SCHEMBL7570289 | 0.89 | VDR (0.50) | VDRMAPTADORA3SLC6A2AGTR1 | |
| SCHEMBL5681059 | 0.89 | VDR (0.50) | VDRMAPTADORA3SLC6A2AGTR1 | |
| SCHEMBL5682502 | 0.89 | VDR (0.50) | VDRMAPTADORA3SLC6A2AGTR1 |
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 |