Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL70932 | 0.96 | ALDH1A1 (0.47) | ALDH1A1TSHRGAA | |
| SCHEMBL11527749 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRGAA | |
| SCHEMBL27542789 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRGAA | |
| SCHEMBL11585901 | 0.86 | GAA (0.36) | ALDH1A1TSHRGAA | |
| SCHEMBL7921559 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRALOX15GAA | |
| SCHEMBL374981 | 0.80 | — | — | |
| SCHEMBL208890 | 0.80 | — | — | |
| SCHEMBL3928411 | 0.80 | TSHR (0.42) | ALDH1A1TSHR | |
| Bicarbonate SCHEMBL28363875 | 0.78 | LMNA (0.39) | ALDH1A1TSHRGAA | |
| SCHEMBL5544379 | 0.78 | TSHR (0.44) | ALDH1A1TSHR |
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-5210320-A | Reacting dimethylhexanediol with hydrogen peroxide and sulfuric acid and alcohol | PHILLIPS PETROLEUM COMPANY (US) | 1993-05-11 | — | — | US | disclosed |