Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 10/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 10/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8161985 | 0.81 | CNR2 (0.47) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9301069 | 0.79 | ALOX5 (0.45) | ACHE | |
| SCHEMBL14417351 | 0.71 | ESR2 (0.71) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9779870 | 0.68 | WDR5 (0.54) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8160039 | 0.68 | CLK1 (0.50) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9301889 | 0.67 | ESR2 (0.41) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15869807 | 0.67 | CYP1A2 (0.52) | CYP1A2CYP3A4ACHETLR8ESR1 | |
| SCHEMBL27930163 | 0.66 | ALOX5 (0.52) | CYP1A2ACHECNR1CNR2 | |
| SCHEMBL1402424 | 0.65 | CYP1A2 (0.63) | HSD17B1HSD17B2CYP1A2CYP3A4TLR8 | |
| SCHEMBL8165414 | 0.65 | ESR1 (0.52) | HSD17B1HSD17B2ESR1ESR2CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5308852-A | Cardiovascular disorders | MERCK FROSST CANADA, INC. (CA) | 1994-05-03 | — | — | US | disclosed |
| EP-0579304-A1 | Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA INC. (CA) | 1994-01-19 | — | — | EP | disclosed |
| WO-1994000444-A1 | HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1994-01-06 | — | — | WO | disclosed |