Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | SHBG | P04278 | 5/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9128153 | 0.85 | CYP3A4 (0.36) | CYP3A4SHBGNR3C1TSHRHIF1A | |
| SCHEMBL9128149 | 0.85 | CYP3A4 (0.36) | CYP3A4SHBGNR3C1TSHRHIF1A | |
| SCHEMBL9124498 | 0.84 | CYP3A4 (0.57) | CYP3A4SHBGNR3C1TSHRHIF1A | |
| SCHEMBL9541234 | 0.84 | CYP3A4 (0.36) | CYP3A4SHBGNR3C1TSHRHIF1A | |
| SCHEMBL9541165 | 0.84 | CYP3A4 (0.36) | CYP3A4SHBGNR3C1TSHRHIF1A | |
| SCHEMBL9541942 | 0.80 | SHBG (0.50) | CYP3A4SHBGNR3C1TSHRHIF1A | |
| SCHEMBL9126734 | 0.78 | — | — | |
| SCHEMBL9126730 | 0.78 | — | — | |
| SCHEMBL9464187 | 0.76 | CYP17A1 (0.38) | CYP3A4SHBGNR3C1TSHRHIF1A | |
| SCHEMBL9542060 | 0.76 | SHBG (0.54) | CYP3A4SHBGNR3C1TSHRHIF1A |
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 |