Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | PGR | P06401 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | HSD11B2 | P80365 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14020703 | 1.00 | CYP3A4 (0.50) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14020697 | 0.91 | CYP3A4 (0.52) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14020704 | 0.91 | CYP3A4 (0.52) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14020696 | 0.90 | CYP3A4 (0.56) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14020730 | 0.89 | CYP3A4 (0.50) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14020717 | 0.87 | CYP3A4 (0.49) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14020727 | 0.87 | CYP3A4 (0.48) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14020728 | 0.87 | CYP3A4 (0.48) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14069927 | 0.86 | CYP3A4 (0.47) | CYP3A4ALDH1A1PGRCYP2C19AR | |
| SCHEMBL14020699 | 0.85 | CYP3A4 (0.54) | CYP3A4ALDH1A1PGRCYP2C19AR |
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-2008113851-A2 | NOVEL C11 MODIFIED RETROSTEROIDS AS PROGESTERONE RECEPTOR MODULATOR COMPOUNDS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |