Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 12/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.64 |
| ▸ | PGR | P06401 | 2/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14364796 | 1.00 | VDR (0.64) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL68416 | 1.00 | VDR (0.64) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL14364795 | 1.00 | VDR (0.64) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL67842 | 1.00 | VDR (0.64) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL14415914 | 1.00 | VDR (0.64) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL2468787 | 1.00 | VDR (0.64) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL23464255 | 0.91 | VDR (0.49) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL7156998 | 0.90 | VDR (0.62) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL14489178 | 0.90 | VDR (0.62) | VDRADRA1ANR1I2PGRADORA3 | |
| SCHEMBL14489414 | 0.90 | VDR (0.51) | VDRADRA1ANR1I2PGRADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129173-B2 | Mixing (1a,3b,5E,7E,20R)-1,3-bis(tert-butyldimethylsiloxy)-20-(3'-cyclopropyl -3'(R,S)-hydroxy-1'-propenyl)-9,10-secopregna-5,7,10(19)-triene with lipase | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2012-03-06 | — | — | US | claimed |
| EP-1470220-B1 | SELECTIVE ENZYMATIC ESTERIFICATION AND SOLVOLYSIS OF EPIMERIC VITAMIN D ANALOG AND SEPARATION OF THE EPIMERS | TEVA PHARMA (IL) | 2011-10-05 | — | — | EP | claimed |