Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 10/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL4826656 | 0.82 | NR3C1 (0.64) | NR3C1CYP19A1ARPGRNR3C2 | |
| SCHEMBL10724042 | 0.81 | NR3C1 (0.38) | ESR1CHRM2SLC6A2SLC6A4ACHE | |
| SCHEMBL9622893 | 0.81 | NR3C1 (0.41) | CYP2C19NR3C1CYP19A1ARPGR | |
| SCHEMBL10582213 | 0.81 | NR3C1 (0.41) | CYP2C19NR3C1CYP19A1ARPGR | |
| SCHEMBL7189243 | 0.78 | NR3C1 (0.47) | ESR1CHRM2SLC6A2SLC6A4ACHE | |
| SCHEMBL11321023 | 0.76 | NFKB1 (0.41) | ESR1CHRM2SLC6A2SLC6A4ACHE | |
| SCHEMBL6158189 | 0.74 | ESR1 (0.36) | ESR1CHRM2SLC6A2SLC6A4ACHE | |
| SCHEMBL8020260 | 0.74 | CYP19A1 (0.40) | NR3C1CYP19A1 | |
| SCHEMBL1401929 | 0.74 | CYP19A1 (0.40) | NR3C1CYP19A1 | |
| SCHEMBL11639279 | 0.74 | CYP19A1 (0.43) | NR3C1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5241063-A | Process for the preparation of steroids bearing 17α-hydroxy-20-oxopregnane side chain | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1993-08-31 | — | — | US | disclosed |