Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | SHBG | P04278 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 12/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541188 | 1.00 | CYP3A4 (0.50) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9543824 | 0.84 | SHBG (0.35) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9542574 | 0.81 | CYP3A4 (0.67) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9542566 | 0.81 | CYP3A4 (0.67) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9541306 | 0.80 | SHBG (0.33) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9542925 | 0.80 | SHBG (0.33) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9541167 | 0.78 | CYP19A1 (0.40) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9541172 | 0.78 | CYP19A1 (0.40) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9125266 | 0.77 | NR3C1 (0.67) | CYP3A4SHBGALDH1A1NR3C1PGR | |
| SCHEMBL9125273 | 0.77 | NR3C1 (0.67) | CYP3A4SHBGALDH1A1NR3C1PGR |
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 |