Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL4936194 | 0.98 | NPC1 (0.54) | NPC1ALDH1A1LMNANPSR1RAB9A | |
| SCHEMBL30457496 | 0.98 | NPC1 (0.54) | NPC1ALDH1A1LMNANPSR1RAB9A | |
| SCHEMBL11665416 | 0.91 | NPC1 (0.59) | NPC1ALDH1A1LMNANPSR1RAB9A | |
| SCHEMBL6569082 | 0.84 | NPC1 (0.63) | NPC1ALDH1A1LMNANPSR1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL10728839 | 0.83 | NPC1 (0.61) | NPC1ALDH1A1LMNANPSR1L3MBTL1 | |
| SCHEMBL11037115 | 0.83 | NPC1 (0.60) | NPC1ALDH1A1NPSR1L3MBTL1KMT2A | |
| SCHEMBL27475740 | 0.80 | NPC1 (0.65) | NPC1ALDH1A1LMNANPSR1L3MBTL1 | |
| SCHEMBL18889531 | 0.78 | HDAC3 (0.49) | NPC1ALDH1A1LMNANPSR1KMT2A | |
| SCHEMBL5847089 | 0.78 | GAA (0.58) | NPC1ALDH1A1NPSR1L3MBTL1KMT2A | |
| SCHEMBL30125359 | 0.77 | GABRA1 (0.54) | ALDH1A1LMNAL3MBTL1KMT2AMAPT |
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-105384708-B | It is a kind of（S）‑（+）‑1‑（2 piperidines phenyl）The preparation method of 3 methyl n-butylamines | 河南普瑞制药有限公司 | 2017-10-27 | — | — | CN | disclosed |