Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28644134 | 1.00 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL28926540 | 0.90 | NPC1 (0.66) | SMN1; SMN2NPC1RAB9AKDM4EGAA | |
| SCHEMBL28642074 | 0.90 | NPC1 (0.66) | SMN1; SMN2NPC1RAB9AKDM4EGAA | |
| SCHEMBL28646005 | 0.89 | NPC1 (0.56) | SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL28646007 | 0.89 | NPC1 (0.56) | SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL28639668 | 0.86 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL28651971 | 0.86 | LMNA (0.55) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28856988 | 0.86 | RAB9A (0.54) | SMN1; SMN2NPC1RAB9AALDH1A1GAA | |
| SCHEMBL28644572 | 0.86 | RAB9A (0.54) | SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL28639667 | 0.86 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1 |
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-113354554-A | (2R,3S) -beta' -hydroxy-beta-amino acid ester derivative and preparation method thereof | 浙江工业大学 | 2021-09-07 | — | — | CN | disclosed |