Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | F7 | P08709 | 1/20 | 0.50 |
| ▸ | F3 | P13726 | 1/20 | 0.50 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9763463 | 0.88 | HTT (0.56) | HTTALDH1A1GAAAPPHCAR3 | |
| SCHEMBL31707265 | 0.87 | HTT (0.52) | HTTALDH1A1GAAAPPHCAR3 | |
| SCHEMBL24970247 | 0.87 | HTT (0.52) | HTTALDH1A1GAAAPPHCAR3 | |
| SCHEMBL24508715 | 0.87 | HTT (0.52) | HTTALDH1A1GAAAPPHCAR3 | |
| SCHEMBL2797137 | 0.87 | HTT (0.56) | HTTALDH1A1GAAAPPHCAR3 | |
| SCHEMBL30476608 | 0.86 | HTT (0.63) | HTTALDH1A1GAAAPPHCAR3 | |
| SCHEMBL2111661 | 0.86 | HTT (0.63) | HTTALDH1A1GAAAPPHCAR3 | |
| Hydrochloric Acid SCHEMBL30055763 | 0.85 | HTT (0.61) | HTTALDH1A1GAAAPPHCAR3 | |
| SCHEMBL15477469 | 0.83 | HTT (0.52) | HTTALDH1A1GAAAPPHCAR3 | |
| SCHEMBL18735599 | 0.82 | HTT (0.51) | HTTALDH1A1GAAAPPHCAR3 |
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-1905875-B | The use of quaternary pyridinium salts as vasoprotective agents | PHARMENA SP Z O O | 2010-07-28 | — | — | CN | disclosed |
| CN-1905875-A | The use of quaternary pyridinium salts as vasoprotective agents | PHARMENA SP Z O O (PL) | 2007-01-31 | — | — | CN | disclosed |