Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASAH1 | Q13510 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9831331 | 1.00 | ASAH1 (0.49) | ASAH1NR1H2NR1H3CES1CDC25A | |
| SCHEMBL10384427 | 1.00 | ASAH1 (0.49) | ASAH1NR1H2NR1H3CES1CDC25A | |
| SCHEMBL5161779 | 0.98 | ASAH1 (0.47) | ASAH1NR1H2NR1H3CES1CDC25A | |
| SCHEMBL11389346 | 0.93 | ASAH1 (0.44) | ASAH1NR1H2NR1H3CES1CDC25A | |
| SCHEMBL7051684 | 0.86 | ALDH1A1 (0.46) | ALDH1A1KDM4ETP53GLAPOLB | |
| SCHEMBL8938074 | 0.84 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53GLAPOLB | |
| SCHEMBL20469318 | 0.83 | NR1H2 (0.49) | ASAH1NR1H2NR1H3CES1CDC25A | |
| SCHEMBL11043417 | 0.83 | NR1H2 (0.49) | ASAH1NR1H2NR1H3CES1CDC25A | |
| SCHEMBL17766503 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4ETP53GLAPOLB | |
| SCHEMBL30423475 | 0.82 | TDP1 (0.54) | ASAH1NR1H2NR1H3CES1CDC25A |
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-2020128728-A1 | IMPERVIOUS COATINGS FOR MAKING METAL, METAL OXIDE, AND SILICON OXIDE SURFACES RESISTANT TO GRAFFITI | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2020-06-25 | — | — | WO | disclosed |