Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7873236 | 0.91 | ADORA3 (0.40) | ADORA3TRPV1MAPTMAPK1TSHR | |
| SCHEMBL7871376 | 0.90 | ADORA3 (0.37) | ADORA3TRPV1MAPTMAPK1TSHR | |
| SCHEMBL8328228 | 0.85 | ADORA3 (0.44) | ADORA3TRPV1MAPTMAPK1TSHR | |
| SCHEMBL7869551 | 0.83 | ADORA3 (0.39) | ADORA3TRPV1MAPTMAPK1TSHR | |
| SCHEMBL8143535 | 0.83 | ADORA3 (0.40) | ADORA3TRPV1MAPTMAPK1TSHR | |
| SCHEMBL7864174 | 0.82 | ADORA3 (0.37) | ADORA3TRPV1MAPTMAPK1TSHR | |
| SCHEMBL7864163 | 0.82 | ADORA3 (0.34) | ADORA3MAPTMAPK1TSHR | |
| SCHEMBL7873283 | 0.81 | ADORA3 (0.40) | ADORA3TRPV1MAPK1TSHRTMIGD3 | |
| SCHEMBL7872515 | 0.81 | ADORA3 (0.38) | ADORA3MAPTMAPK1TSHRTMIGD3 | |
| SCHEMBL7873331 | 0.80 | MAPT (0.36) | ADORA3TRPV1MAPTMAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6306853-B1 | DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS | NIKKEN CHEMICALS CO., LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| EP-1055672-A1 | 1,4-DIHYDROPYRIDINE DERIVATIVES | Nikken Chemicals Company, Limited (JP) | 2000-11-29 | — | — | EP | disclosed |