Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL5546203 | 0.81 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL23406367 | 0.80 | NPC1 (0.44) | ALDH1A1NPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL29573094 | 0.80 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL16415371 | 0.80 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL29099912 | 0.79 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL28542216 | 0.79 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL26004981 | 0.78 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| SCHEMBL28644537 | 0.78 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL24505271 | 0.76 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 | |
| Hydrogen Sulfide SCHEMBL28059716 | 0.76 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9APLA2G1BNFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112585145-A | Polycyclic compound and organic light emitting device including the same | 株式会社LG化学 | 2021-03-30 | — | — | CN | disclosed |