Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 19/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8529684 | 1.00 | VDR (0.46) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL9001060 | 0.91 | VDR (0.47) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL9262895 | 0.90 | VDR (0.47) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL8526612 | 0.89 | VDR (0.47) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL8188845 | 0.89 | VDR (0.46) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL8705616 | 0.89 | VDR (0.46) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL8527098 | 0.89 | VDR (0.46) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL8193233 | 0.87 | VDR (0.45) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL6060311 | 0.87 | VDR (0.49) | VDRHTR1ANR1I2PGRADORA3 | |
| SCHEMBL6060632 | 0.86 | VDR (0.48) | VDRHTR1ANR1I2PGRADORA3 |
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-0663902-A1 | 25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-07-26 | — | — | EP | disclosed |
| WO-1994007853-A1 | 25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, METHOD OF PRODUCING THEM, INTERMEDIATE PRODUCTS FOR THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-04-14 | — | — | WO | disclosed |