Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 15/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | GC | P02774 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL8973892 | 0.86 | VDR (0.51) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8616823 | 0.84 | VDR (0.49) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8743919 | 0.84 | VDR (0.49) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8616073 | 0.84 | VDR (0.67) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8971842 | 0.83 | VDR (0.57) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8992758 | 0.83 | VDR (0.42) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8613230 | 0.83 | VDR (0.57) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8927522 | 0.81 | VDR (0.51) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8397390 | 0.81 | VDR (0.51) | VDRADORA3SLC6A2AGTR1NR1I2 | |
| SCHEMBL8963804 | 0.81 | VDR (0.50) | VDRADORA3SLC6A2AGTR1NR1I2 |
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-0696275-B1 | VITAMIN D AMIDE DERIVATIVES | RES INST MEDICINE CHEM (US) | 1998-08-12 | — | — | EP | disclosed |
| US-5756733-A | Vitamin D amide derivatives | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY (US) | 1998-05-26 | — | — | US | disclosed |