Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 2/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866039 | 0.83 | MMP2 (0.31) | CYP3A4 | |
| SCHEMBL7808926 | 0.80 | KIF11 (0.47) | KIF11ALDH1A1CYP3A4CA12CA2 | |
| SCHEMBL12441782 | 0.74 | CETP (0.36) | CYP3A4HSD17B1HSD17B2SMN1; SMN2 | |
| SCHEMBL825377 | 0.71 | LMNA (0.44) | KIF11ALDH1A1CYP3A4ACHETSHR | |
| SCHEMBL4379660 | 0.71 | ALDH1A1 (0.44) | KIF11ALDH1A1CYP3A4ACHETSHR | |
| SCHEMBL31215161 | 0.71 | LMNA (0.44) | KIF11ALDH1A1CYP3A4ACHETSHR | |
| SCHEMBL393199 | 0.70 | ESR1 (0.58) | KIF11ALDH1A1CYP3A4ACHETSHR | |
| SCHEMBL13815889 | 0.70 | ESR1 (0.42) | KIF11ALDH1A1CYP3A4ACHETSHR | |
| SCHEMBL2399948 | 0.70 | ESR1 (0.42) | KIF11ALDH1A1CYP3A4ACHETSHR | |
| SCHEMBL4777005 | 0.69 | NR1H2 (0.32) | CYP3A4NR1H2NR1H3 |
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-0788497-B1 | BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC (CA) | 2001-05-23 | — | — | EP | disclosed |
| US-5552437-A | ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-09-03 | — | — | US | disclosed |
| WO-1996013500-A1 | BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1996-05-09 | — | — | WO | disclosed |