Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 1.00 |
| ▸ | NPC1 | O15118 | 5/20 | 1.00 |
| ▸ | RAB9A | P51151 | 5/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 1.00 |
| ▸ | MAPT | P10636 | 5/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 1.00 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 1.00 |
| ▸ | MAOA | P21397 | 3/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1880565 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL29359913 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL30120715 | 0.91 | KDM4E (0.83) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL21112920 | 0.91 | MAPT (0.83) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL26983883 | 0.91 | KDM4E (0.83) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL31037131 | 0.90 | ALDH1A1 (0.82) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL30612325 | 0.90 | ALDH1A1 (0.82) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL4481328 | 0.90 | ALDH1A1 (0.82) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| Propiolactone SCHEMBL6691395 | 0.89 | NPC1 (0.79) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL8964851 | 0.86 | ALDH1A1 (0.75) | ALDH1A1NPC1RAB9AKDM4EMAPT |
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-108289922-B | Therapeutic methods and compositions for treating non-small cell lung cancer | 友杏生技医药股份有限公司 | 2022-02-08 | — | — | CN | disclosed |