Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28721441 | 0.86 | — | — | |
| Water SCHEMBL14251017 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRNFKB1THPOHSD17B10 | |
| SCHEMBL6523333 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRNFKB1THPOHSD17B10 | |
| SCHEMBL24760 | 0.82 | — | — | |
| Acetonitrile SCHEMBL1781035 | 0.80 | — | — | |
| Acetonitrile SCHEMBL1345637 | 0.80 | ALDH1A1 (0.37) | ALDH1A1TSHRNFKB1THPOHSD17B10 | |
| Hydrochloric Acid SCHEMBL11149001 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL31267456 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHRNFKB1THPOHSD17B10 | |
| Bromide SCHEMBL29640683 | 0.78 | — | — | |
| SCHEMBL31004029 | 0.78 | — | — |
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-4535164-A | CYCLIZATION OF AMIDE-CONTAINING THIOKETAL-THIOACETAL USING APROTIC SOLVENT AND MERCURIC SALT CATALYST | MERCK & CO., INC. (US) | 1985-08-13 | — | — | US | disclosed |