Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 7/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.67 |
| ▸ | LMNA | P02545 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | NR3C1 | P04150 | 7/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.65 |
| ▸ | AR | P10275 | 4/20 | 0.65 |
| ▸ | PGR | P06401 | 4/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.64 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.64 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | APEX1 | P27695 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL11044125 | 1.00 | HIF1A (0.67) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL1627541 | 0.87 | HIF1A (0.74) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL3393684 | 0.87 | HIF1A (0.77) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL27869024 | 0.87 | HIF1A (0.74) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL3393688 | 0.87 | HIF1A (0.77) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL2705971 | 0.87 | HIF1A (0.74) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL10788664 | 0.87 | HIF1A (0.71) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL9624004 | 0.86 | HIF1A (0.62) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL10788659 | 0.86 | HIF1A (0.73) | HIF1ACYP3A4LMNAALDH1A1NR3C1 | |
| SCHEMBL11058347 | 0.86 | HIF1A (0.61) | HIF1ACYP3A4LMNAALDH1A1NR3C1 |
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-4488995-A | Androstene-17β-alkylthiomethyl ethers | E. R. SQUIBB & SONS, INC. (US) | 1984-12-18 | — | — | US | disclosed |