Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28639667 | 1.00 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2SLC6A9SLC6A5 | |
| SCHEMBL28642074 | 0.90 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2SLC6A9SLC6A5 | |
| SCHEMBL28926540 | 0.90 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2SLC6A9SLC6A5 | |
| SCHEMBL28646005 | 0.89 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HDAC6EPHX2 | |
| SCHEMBL28646007 | 0.89 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HDAC6EPHX2 | |
| SCHEMBL28644572 | 0.86 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2SLC6A9SLC6A5 | |
| SCHEMBL28652532 | 0.86 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2EPHX2GAA | |
| SCHEMBL28644136 | 0.86 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2EPHX2GAA | |
| SCHEMBL28651971 | 0.86 | LMNA (0.55) | NPC1RAB9ASMN1; SMN2SLC6A9EPHX2 | |
| SCHEMBL28856988 | 0.86 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2EPHX2GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113354554-B | (2R, 3S) -beta' -hydroxyl-beta-amino acid ester derivative and preparation method thereof | 浙江工业大学 | 2022-10-11 | — | — | CN | disclosed |
| 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 |