Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | KCNK18 | Q7Z418 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | MAX | P61244 | 1/20 | 0.34 |
| ▸ | FABP3 | P05413 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL23421633 | 1.00 | ALDH1A1 (0.35) | ALDH1A1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL25124812 | 0.87 | CCR4 (0.35) | ALDH1A1NPC1RAB9AL3MBTL1KCNK18 | |
| SCHEMBL26600083 | 0.87 | NPC1 (0.35) | ALDH1A1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL23440021 | 0.86 | RXRA (0.36) | ALDH1A1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL31069287 | 0.86 | RXRA (0.36) | ALDH1A1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL22245925 | 0.85 | PDK2 (0.37) | NPC1RAB9AL3MBTL1MYCMAX | |
| SCHEMBL25858235 | 0.84 | FABP4 (0.45) | ALDH1A1L3MBTL1MYCMAXFABP3 | |
| SCHEMBL30363478 | 0.82 | KCNK18 (0.37) | ALDH1A1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL30363263 | 0.82 | PDK2 (0.39) | ALDH1A1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL26599461 | 0.82 | PDK2 (0.39) | ALDH1A1NPC1CASP3RAB9ASENP8 |
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-113924307-B | Polycyclic compound and organic light-emitting element including the same | 株式会社LG化学 | 2024-08-20 | — | — | CN | disclosed |