Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 2/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.30 |
| ▸ | SCD | O00767 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10991959 | 0.82 | NPC1 (0.39) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL10710201 | 0.82 | NPC1 (0.39) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL11216422 | 0.77 | CA12 (0.42) | ALDH1A1L3MBTL1CA12CA9 | |
| SCHEMBL11040034 | 0.77 | CA12 (0.42) | ALDH1A1L3MBTL1CA12CA9 | |
| SCHEMBL14572007 | 0.67 | ALDH1A1 (0.35) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL11205771 | 0.66 | ALDH1A1 (0.41) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL11205775 | 0.66 | ALDH1A1 (0.41) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL10700451 | 0.66 | CA12 (0.54) | CASP3CA12CA9METAP2 | |
| SCHEMBL4127799 | 0.63 | CA12 (0.50) | ALDH1A1L3MBTL1CA12CA9METAP2 | |
| SCHEMBL1567419 | 0.63 | CA12 (0.50) | NPC1ALDH1A1RAB9ACA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0157657-A2 | Peroxydic metal complexes, their preparation and use in hydrocarbon oxidation reactions to alcohols and/or ketones | Institut Français du Pétrole (FR) | 1985-10-09 | — | — | EP | disclosed |