Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 9/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24358654 | 0.84 | SHBG (0.53) | CYP17A1SRD5A2ESR1ARESR2 | |
| SCHEMBL9195965 | 0.84 | SHBG (0.53) | CYP17A1SRD5A2ESR1ARESR2 | |
| SCHEMBL24358655 | 0.84 | SHBG (0.53) | CYP17A1SRD5A2ESR1ARESR2 | |
| SCHEMBL9543900 | 0.83 | SHBG (0.49) | SRD5A2ESR1ARESR2LMNA | |
| SCHEMBL24358694 | 0.78 | SRD5A2 (0.59) | SRD5A2ESR1ARESR2LMNA | |
| SCHEMBL11731128 | 0.78 | SHBG (0.53) | ESR1ARESR2LMNACYP3A4 | |
| SCHEMBL11326365 | 0.78 | CYP19A1 (0.57) | SRD5A2LMNACYP3A4SHBGCYP19A1 | |
| SCHEMBL11643796 | 0.76 | ESR1 (0.41) | SRD5A2ESR1ARESR2LMNA | |
| SCHEMBL11207949 | 0.73 | SRD5A2 (0.43) | SRD5A2ESR1ARESR2LMNA | |
| SCHEMBL11343684 | 0.71 | TDP1 (0.40) | SRD5A2ESR1ARESR2LMNA |
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-1993013122-A1 | 3-METHYLSULPHONYLHYDRAZONO AND 3-OXYIMINO STEROIDS, A METHOD OF PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF DRUGS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-07-08 | — | — | WO | disclosed |