Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 7/20 | 0.59 |
| ▸ | PGR | P06401 | 7/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.59 |
| ▸ | AR | P10275 | 4/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 6/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11571163 | 0.90 | CYP3A4 (0.54) | CYP3A4NR3C1PGRHIF1AAR | |
| SCHEMBL11309724 | 0.83 | CYP3A4 (0.71) | CYP3A4NR3C1PGRHIF1AAR | |
| SCHEMBL11341995 | 0.81 | PGR (0.45) | CYP3A4NR3C1PGRHIF1AAR | |
| SCHEMBL11340199 | 0.79 | CYP3A4 (0.53) | CYP3A4NR3C1PGRHIF1AAR | |
| SCHEMBL11569900 | 0.78 | NR3C1 (0.52) | CYP3A4NR3C1PGRHIF1AAR | |
| Flurandrenolide SCHEMBL5042122 | 0.74 | CYP3A4 (1.00) | CYP3A4NR3C1PGRHIF1AAR | |
| Flurandrenolide SCHEMBL21111542 | 0.74 | CYP3A4 (1.00) | CYP3A4NR3C1PGRHIF1AAR | |
| Flurandrenolide SCHEMBL13423594 | 0.74 | CYP3A4 (1.00) | CYP3A4NR3C1PGRHIF1AAR | |
| Flurandrenolide SCHEMBL13769220 | 0.74 | CYP3A4 (1.00) | CYP3A4NR3C1PGRHIF1AAR | |
| Flurandrenolide SCHEMBL4694 | 0.74 | CYP3A4 (1.00) | CYP3A4NR3C1PGRHIF1AAR |
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-0004773-B1 | 17-BETA-THIOCARBOXYLIC ACID ESTERS OF 4-HALO-3-OXOANDROST-4-ENES, THEIR PHARMACEUTICAL USE AND PROCESSES FOR THEIR PREPARATION | SYNTEX (U.S.A.) INC. (US) | 1981-04-29 | — | — | EP | disclosed |