Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9301064 | 0.80 | ALOX5 (0.51) | TDP1ALOX5 | |
| SCHEMBL3172969 | 0.69 | ESR1 (0.52) | ESR2ESR1ALDH1A1KDM4ETSHR | |
| SCHEMBL10581021 | 0.68 | ESR1 (0.78) | ESR2ESR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19133218 | 0.68 | ESR2 (0.54) | ESR2ESR1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9301900 | 0.67 | HSD17B1 (0.43) | ESR2ESR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7262402 | 0.66 | CYP3A4 (0.46) | ESR2ESR1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9634030 | 0.65 | ESR1 (0.50) | ESR2ESR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL22291706 | 0.64 | CYP1A2 (0.50) | ESR2ESR1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL1699314 | 0.64 | GAA (0.40) | ESR2ESR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9779870 | 0.64 | WDR5 (0.54) | ESR2ESR1ALDH1A1CYP3A4CYP2C9 |
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 |