Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 13/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | GC | P02774 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12524052 | 1.00 | VDR (0.47) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL12525826 | 0.92 | VDR (0.46) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL15083872 | 0.91 | VDR (0.59) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL12525241 | 0.91 | VDR (0.47) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL12523605 | 0.89 | VDR (0.64) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL23464255 | 0.86 | VDR (0.49) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL12523568 | 0.86 | VDR (0.40) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL8861297 | 0.81 | VDR (0.50) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL13299841 | 0.81 | VDR (0.50) | VDRADORA3SLC6A2NR1I2PGR | |
| SCHEMBL8091700 | 0.80 | VDR (0.54) | VDRADORA3SLC6A2NR1I2PGR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012122451-A2 | POLYMORPHS OF MAXACALCITOL AND PROCESS FOR THE PREPARATION OF MAXACALCITOL | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2012-09-13 | — | — | WO | disclosed |