Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.64 |
| ▸ | PGR | P06401 | 7/20 | 0.64 |
| ▸ | AR | P10275 | 3/20 | 0.64 |
| ▸ | F2 | P00734 | 1/20 | 0.64 |
| ▸ | NR3C1 | P04150 | 6/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11686743 | 1.00 | CYP3A4 (0.64) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL6836064 | 0.92 | PGR (0.67) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL6836062 | 0.92 | PGR (0.67) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL11272818 | 0.92 | PGR (0.67) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL6836061 | 0.92 | PGR (0.67) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL11878266 | 0.89 | CYP3A4 (0.73) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL11878275 | 0.89 | CYP3A4 (0.73) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL6836230 | 0.89 | CYP3A4 (0.73) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL1371249 | 0.89 | CYP3A4 (0.73) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL6836229 | 0.89 | CYP3A4 (0.73) | CYP3A4PGRARF2NR3C1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4049804-A | Novel pregnanoic acid derivatives | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-09-20 | — | — | US | claimed |
| US-3944577-A | Novel pregnane-21-oic acid derivatives | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-03-16 | — | — | US | claimed |
| US-4049804-A | Novel pregnanoic acid derivatives | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-09-20 | — | — | US | disclosed |
| US-3944577-A | Novel pregnane-21-oic acid derivatives | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-03-16 | — | — | US | disclosed |