Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28663829 | 1.00 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2ATMSLC6A2 | |
| SCHEMBL28926540 | 0.84 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28642074 | 0.84 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28856988 | 0.84 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL28652532 | 0.84 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL28646007 | 0.83 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL28646005 | 0.83 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL28651971 | 0.81 | LMNA (0.55) | NPC1RAB9ASMN1; SMN2MEN1CYP1A2 | |
| SCHEMBL28644134 | 0.81 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL28644572 | 0.81 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4 |
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-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 |