Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.36 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8135155 | 0.93 | ADORA3 (0.40) | ADORA3TMIGD3MAPK1MAPTTSHR | |
| SCHEMBL8144758 | 0.90 | ADORA3 (0.39) | ADORA3CACNA1CTMIGD3MAPK1MAPT | |
| SCHEMBL8138174 | 0.88 | ADORA3 (0.36) | ADORA3CACNA1CTMIGD3MAPK1MAPT | |
| SCHEMBL7864187 | 0.87 | ADORA3 (0.39) | ADORA3CACNA1CTMIGD3MAPK1MAPT | |
| SCHEMBL7864153 | 0.87 | ADORA3 (0.39) | ADORA3TMIGD3MAPK1MAPTTSHR | |
| SCHEMBL7876031 | 0.84 | ADORA3 (0.39) | ADORA3CACNA1CTMIGD3MAPK1MAPT | |
| SCHEMBL7864225 | 0.84 | ADORA3 (0.41) | ADORA3TMIGD3MAPK1TSHRCYP3A4 | |
| SCHEMBL7869604 | 0.83 | ADORA3 (0.40) | ADORA3TMIGD3MAPK1MAPTTSHR | |
| SCHEMBL7873283 | 0.83 | ADORA3 (0.40) | ADORA3TMIGD3MAPK1TSHRGAA | |
| SCHEMBL7872515 | 0.82 | ADORA3 (0.38) | ADORA3TMIGD3MAPK1MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6306853-B1 | DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS | NIKKEN CHEMICALS CO., LTD. (JP) | 2001-10-23 | — | — | US | disclosed |