Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.38 |
| ▸ | GAPDH | P04406 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL1052989 | 0.89 | — | — | |
| Hexane SCHEMBL720450 | 0.87 | TRPA1 (0.46) | TSHRTRPA1DDAH1GAPDHMAPT | |
| Butyl Alcohol SCHEMBL11050931 | 0.87 | — | — | |
| Butyl Alcohol SCHEMBL5571431 | 0.87 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL195732 | 0.87 | — | — | |
| Butyl Alcohol SCHEMBL28316568 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL28030425 | 0.84 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Heptane SCHEMBL5203374 | 0.84 | TSHR (0.48) | TSHRTRPA1DDAH1GAPDHMAPT | |
| Butyl Alcohol SCHEMBL633562 | 0.84 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL6045192 | 0.84 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3204368-A1 | USE OF BROMINE IONS IN THE PRODUCTION OF 2,5-FURANDICARBOXYLIC ACID | BP Corporation North America Inc. (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057628-A1 | USE OF BROMINE IONS IN THE PRODUCTION OF 2,5-FURANDICARBOXYLIC ACID | BP CORPORATION NORTH AMERICA INC. (US) | 2016-04-14 | — | — | WO | disclosed |