Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.38 |
| ▸ | AR | P10275 | 3/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7189243 | 0.85 | NR3C1 (0.47) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL4826656 | 0.80 | NR3C1 (0.64) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL9470387 | 0.73 | ESR1 (0.46) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL14571254 | 0.72 | NR3C1 (0.64) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL8242650 | 0.72 | NR3C1 (0.64) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL10530695 | 0.71 | NR3C1 (0.55) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL10413728 | 0.69 | NR3C1 (0.58) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL11321023 | 0.68 | NFKB1 (0.41) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL4978357 | 0.68 | NR3C1 (0.61) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL4978346 | 0.68 | NR3C1 (0.61) | NR3C1CYP19A1ARPGRNR3C2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0181442-B1 | PROCESS FOR THE PREPARATION OF PREGNANE DERIVATIVE | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-07-12 | — | — | EP | disclosed |
| US-4708823-A | 17 α-chloroethynyl pregnane derivatives | SCHERING AKTIENGESELLSCHAFT (DE) | 1987-11-24 | — | — | US | disclosed |