Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL28220275 | 0.97 | NAAA (0.44) | CYP1A2NAAADUSP3THRBTSHR | |
| 1-Pentanol SCHEMBL4615755 | 0.89 | SMN1; SMN2 (0.52) | CYP1A2NAAADUSP3TSHRALDH1A1 | |
| SCHEMBL16339695 | 0.89 | TSHR (0.50) | CYP1A2NAAADUSP3TSHRALDH1A1 | |
| Octanol SCHEMBL28196236 | 0.87 | LMNA (0.54) | CYP1A2NAAADUSP3TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL29159340 | 0.87 | SLC22A1 (0.50) | CYP1A2TSHRALDH1A1 | |
| Butyl Alcohol SCHEMBL4615954 | 0.85 | ALDH1A1 (0.50) | CYP1A2NAAADUSP3TSHRALDH1A1 | |
| Butylamine SCHEMBL10776959 | 0.85 | DNM1 (0.40) | CYP1A2NAAATSHRALDH1A1 | |
| Propane SCHEMBL27666583 | 0.85 | — | — | |
| Propanol SCHEMBL4616364 | 0.81 | NAAA (0.32) | CYP1A2NAAATSHRALDH1A1 | |
| SCHEMBL28023892 | 0.80 | NAAA (0.44) | NAAATSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020011961-A1 | CONTINUOUS PRODUCTION OF AN ADSORPTION PRODUCT OF A VITAMIN | DSM IP ASSETS B.V. (NL) | 2020-01-16 | — | — | WO | disclosed |