Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 11/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8187899 | 1.00 | VDR (0.56) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL8527342 | 0.94 | VDR (0.50) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL8526132 | 0.94 | VDR (0.50) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL9262189 | 0.94 | VDR (0.50) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL9180551 | 0.94 | VDR (0.50) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL6936306 | 0.94 | VDR (0.50) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL6939338 | 0.94 | VDR (0.50) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL8529627 | 0.92 | VDR (0.52) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL8527260 | 0.92 | VDR (0.52) | VDRADRA1ANR1I2PGRHTR1A | |
| SCHEMBL9265818 | 0.92 | VDR (0.52) | VDRADRA1ANR1I2PGRHTR1A |
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-0832063-B1 | VITAMIN D DERIVATIVES WITH C-25 SUBSTITUENTS, PROCESS FOR THEIR PREPARATION, INTERMEDIATE PRODUCTS AND THEIR USE IN PREPARING MEDICAMENTS | SCHERING AG (DE) | 2000-02-23 | — | — | EP | disclosed |