Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 8/20 | 0.44 |
| ▸ | CA12 | O43570 | 7/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.44 |
| ▸ | SORD | Q00796 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TPI1 | P60174 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9261782 | 0.82 | CA12 (0.67) | ALOX5CA9CA12AKR1B1MAOB | |
| SCHEMBL7808379 | 0.82 | ALOX5 (0.47) | ALOX5CA9CA12AKR1B1MAOB | |
| SCHEMBL7808372 | 0.82 | CA12 (0.56) | ALOX5CA9CA12AKR1B1MAOB | |
| SCHEMBL7803960 | 0.79 | ALOX5 (0.51) | ALOX5CA9CA12AKR1B1MAOB | |
| SCHEMBL7816278 | 0.73 | ALOX5 (0.50) | ALOX5CA9CA12AKR1B1MAOB | |
| SCHEMBL18788580 | 0.72 | KCNA3 (0.67) | ALDH2ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL377454 | 0.69 | ALDH1A1 (0.64) | CA9CA12AKR1B1MAOBMAOA | |
| SCHEMBL9008944 | 0.69 | ALOX5 (0.68) | ALOX5CA9CA12AKR1B1MAOB | |
| SCHEMBL9008937 | 0.69 | ALOX5 (0.67) | ALOX5CA9CA12AKR1B1MAOB | |
| SCHEMBL9009058 | 0.68 | ALOX5 (0.45) | ALOX5CA9CA12AKR1B1MAOB |
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 9 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 |
| EP-0788490-B1 | BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC (CA) | 2000-07-05 | — | — | EP | disclosed |
| EP-0788490-A1 | BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1997-08-13 | — | — | EP | disclosed |
| EP-0788497-A1 | BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1997-08-13 | — | — | EP | disclosed |
| US-5576338-A | ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS | MERCK FROSST CANADA, INC. (CA) | 1996-11-19 | — | — | US | disclosed |
| US-5552437-A | ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-09-03 | — | — | US | disclosed |
| US-5527827-A | ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-06-18 | — | — | US | disclosed |
| WO-1996013491-A1 | BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1996-05-09 | — | — | WO | disclosed |
| WO-1996013500-A1 | BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1996-05-09 | — | — | WO | disclosed |