Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL8723579 | 1.00 | CYP2A6 (0.45) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL29629107 | 0.79 | CYP2A6 (0.56) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL1039782 | 0.79 | CYP2A6 (0.56) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL1673423 | 0.76 | ALDH1A1 (0.50) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL30499577 | 0.74 | HSD17B10 (0.48) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL27002361 | 0.74 | CYP2A6 (0.50) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL29244212 | 0.74 | CYP2A6 (0.45) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL10877466 | 0.74 | CYP2A6 (0.45) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL554286 | 0.74 | HSD17B10 (0.48) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL5610395 | 0.74 | CYP2A6 (0.45) | CYP2A6CYP1A2ALDH1A1HSD17B10HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0609058-B1 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO CO (JP) | 1998-12-09 | — | — | EP | disclosed |
| US-5491167-A | INHIBITORS OF CHOLESTEROL BIOSYNTHESIS | SANKYO COMPANY, LIMITED (JP) | 1996-02-13 | — | — | US | disclosed |
| EP-0609058-A2 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO COMPANY LIMITED (JP) | 1994-08-03 | — | — | EP | disclosed |