Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PTAFR | P25105 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1200124 | 1.00 | NPC1 (0.53) | NPC1RAB9APOLBMAOACYP1A2 | |
| SCHEMBL19435728 | 0.90 | NPC1 (0.50) | NPC1RAB9APOLBMAOACYP1A2 | |
| SCHEMBL29139832 | 0.83 | SMN1; SMN2 (0.42) | NPC1RAB9AMAOACYP1A2KMT2A | |
| SCHEMBL13114103 | 0.83 | NPC1 (0.39) | NPC1RAB9APOLBMAOACYP1A2 | |
| SCHEMBL31465075 | 0.83 | NPC1 (0.47) | NPC1RAB9APOLBMAOACYP1A2 | |
| SCHEMBL5042357 | 0.83 | NPC1 (0.47) | NPC1RAB9APOLBMAOACYP1A2 | |
| SCHEMBL10041968 | 0.80 | NPC1 (0.42) | NPC1RAB9APOLBMAOACYP1A2 | |
| SCHEMBL4771351 | 0.78 | CYP1A2 (0.35) | NPC1RAB9AMAOACYP1A2KMT2A | |
| SCHEMBL27281859 | 0.77 | CYP1A2 (0.45) | NPC1RAB9APOLBCYP1A2KMT2A | |
| SCHEMBL12843388 | 0.77 | CES1 (0.39) | NPC1RAB9AMAOACYP1A2ADRA2A |
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-119823959-A | Imine reductase or mutant thereof and application thereof in preparing alpha-aryl acetamide and derivative thereof by catalyzing asymmetric reduction | 四川大学华西第二医院 | 2025-04-15 | — | — | CN | disclosed |
| CN-118995869-A | Method for preparing (R) -N-acetyl-alpha-arylethylamine derivative by photocatalytic asymmetric reduction | 南京大学 | 2024-11-22 | — | — | CN | disclosed |