Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8729498 | 1.00 | CYP2A6 (0.60) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL449348 | 0.75 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL5673224 | 0.75 | CYP2A6 (0.65) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| Ammonia Solution, Strong SCHEMBL11476794 | 0.73 | CYP2A6 (0.95) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| Benzene SCHEMBL27349922 | 0.73 | CYP2A6 (0.95) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL8723573 | 0.73 | CYP2A6 (0.45) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL8723579 | 0.73 | CYP2A6 (0.45) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL1243989 | 0.71 | CYP2A6 (0.60) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL9720422 | 0.71 | CYP2A6 (0.60) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL8726157 | 0.71 | CYP2A6 (0.60) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR |
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 |