Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 4/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL17563220 | 0.84 | ALDH1A1 (0.36) | ALDH1A1DHODHCNR2ACHEMEN1 | |
| SCHEMBL29319742 | 0.84 | NQO1 (0.55) | ALDH1A1HSD17B1HSD17B2NQO1ACHE | |
| SCHEMBL29319788 | 0.81 | NQO1 (0.52) | HSD17B1HSD17B2NQO1ACHEGAA | |
| SCHEMBL13232020 | 0.81 | ACHE (0.33) | DHODHCNR2ACHE | |
| SCHEMBL13232018 | 0.81 | ACHE (0.33) | DHODHCNR2ACHE | |
| SCHEMBL16527774 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HSD17B1HSD17B2NQO1HCAR1 | |
| SCHEMBL2620531 | 0.77 | NQO1 (0.68) | ALDH1A1HSD17B1HSD17B2NQO1HCAR1 | |
| SCHEMBL13232028 | 0.76 | DHODH (0.31) | DHODH | |
| SCHEMBL29319825 | 0.76 | ALDH1A1 (0.52) | ALDH1A1HSD17B1HSD17B2HCAR1ACHE | |
| SCHEMBL13232015 | 0.74 | RAPGEF4 (0.38) | DHODH |
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-20240239931-A1 | FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS | CHEMOURS COMPANY FC, LLC, THE | 2024-07-18 | — | — | US | disclosed |