Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EEF2K | O00418 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 2/20 | 0.33 |
| ▸ | SOD3 | P08294 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9041570 | 1.00 | HDAC1 (0.39) | HDAC1ALDH1A1SMN1; SMN2MAPTTLR8 | |
| SCHEMBL8523698 | 0.82 | HDAC1 (0.39) | HDAC1GAA | |
| SCHEMBL9038711 | 0.80 | CES1 (0.44) | ALDH1A1EEF2KCYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8523710 | 0.80 | SCN9A (0.39) | HDAC1ALDH1A1TLR8NPC1CYP2C19 | |
| SCHEMBL8523151 | 0.79 | DRD2 (0.40) | HDAC1ALDH1A1SMN1; SMN2MAPTHSD17B10 | |
| SCHEMBL8524212 | 0.76 | SIGMAR1 (0.38) | HDAC1SOD3GAA | |
| SCHEMBL8091908 | 0.73 | BRPF1 (0.41) | ALDH1A1SMN1; SMN2HSD17B10NPC1HPGD | |
| SCHEMBL10238719 | 0.72 | HDAC1 (0.47) | HDAC1ALDH1A1MAPTHSD17B10CYP2C19 | |
| SCHEMBL16602935 | 0.71 | MEN1 (0.55) | ALDH1A1MAPTCYP3A4 | |
| SCHEMBL20863104 | 0.70 | CHRM2 (0.52) | ALDH1A1MAPTHSD17B10HPGDEEF2K |
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 |
|---|---|---|---|---|---|---|---|
| EP-0262343-B1 | N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions | PUETTER MEDICE CHEM PHARM (DE) | 1996-01-03 | — | — | EP | disclosed |