Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | USP5 | P45974 | 1/20 | 0.36 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.35 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9780297 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MAPTGAAL3MBTL1USP5 | |
| SCHEMBL10911181 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTGAAL3MBTL1HSP90AA1 | |
| SCHEMBL9780222 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTGAAL3MBTL1HSP90AA1 | |
| SCHEMBL9734675 | 0.75 | CYSLTR2 (0.41) | ALDH1A1GAAL3MBTL1CYSLTR2CYSLTR1 | |
| SCHEMBL9863050 | 0.75 | CYSLTR2 (0.36) | ALDH1A1GAAL3MBTL1USP5CYSLTR2 | |
| SCHEMBL9780346 | 0.74 | FFAR1 (0.39) | ALDH1A1GAAL3MBTL1USP5CYSLTR2 | |
| SCHEMBL9732958 | 0.66 | POLB (0.51) | ALDH1A1GAAL3MBTL1CYSLTR2CYSLTR1 | |
| SCHEMBL11823552 | 0.66 | MME (0.47) | FFAR1 | |
| SCHEMBL10547785 | 0.65 | CYSLTR2 (0.53) | ALDH1A1L3MBTL1CYSLTR2CYSLTR1FFAR1 | |
| SCHEMBL11443491 | 0.64 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP2C9HPGDCYP2C19 |
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-0206741-B1 | LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1991-04-10 | — | — | EP | disclosed |
| US-4990526-A | Skin disorders, antiallergens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1991-02-05 | — | — | US | disclosed |
| EP-0206741-A2 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1986-12-30 | — | — | EP | disclosed |