Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24157945 | 0.81 | MC4R (0.42) | RAB9A | |
| SCHEMBL19654872 | 0.81 | AOC3 (0.48) | AOC3CA2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL19980450 | 0.80 | AOC3 (0.44) | AOC3CA2NPC1RAB9ACA12 | |
| SCHEMBL19216110 | 0.79 | AOC3 (0.52) | AOC3GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL22737287 | 0.79 | AOC3 (0.42) | AOC3CA2NPC1RAB9ACA12 | |
| SCHEMBL536198 | 0.77 | AOC3 (0.52) | AOC3CA2NPC1RAB9ACA12 | |
| SCHEMBL25581834 | 0.74 | AOC3 (0.46) | AOC3GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL22862415 | 0.72 | MEN1 (0.45) | AOC3CA2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL22048740 | 0.72 | NPC1 (0.42) | AOC3NPC1RAB9ACA12CA9 | |
| SCHEMBL23189283 | 0.72 | AOC3 (0.44) | AOC3NPC1RAB9ACA12CA9 |
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-3816163-A1 | CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2021-05-05 | — | — | EP | disclosed |