Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.50 |
| ▸ | SHBG | P04278 | 4/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | PGR | P06401 | 4/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9542589 | 0.90 | SHBG (0.39) | LMNATSHRCYP2C19SHBGESR1 | |
| SCHEMBL9541880 | 0.89 | SHBG (0.38) | LMNATSHRCYP2C19SHBGESR1 | |
| SCHEMBL9541894 | 0.87 | SHBG (0.46) | LMNATSHRCYP2C19SHBGPGR | |
| SCHEMBL9542674 | 0.85 | LMNA (0.50) | LMNATSHRCYP2C19SHBGESR1 | |
| SCHEMBL9542060 | 0.84 | SHBG (0.54) | LMNATSHRCYP2C19SHBGESR1 | |
| SCHEMBL9541259 | 0.83 | CYP3A4 (0.38) | LMNATSHRCYP2C19SHBGESR1 | |
| SCHEMBL9542435 | 0.80 | CYP17A1 (0.46) | LMNATSHRCYP2C19SHBGESR1 | |
| SCHEMBL9542425 | 0.80 | SHBG (0.62) | LMNATSHRCYP2C19SHBGESR1 | |
| SCHEMBL11524502 | 0.80 | SHBG (0.62) | LMNATSHRCYP2C19SHBGESR1 | |
| SCHEMBL9541165 | 0.79 | CYP3A4 (0.36) | LMNATSHRCYP2C19SHBGPGR |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |