Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 8/20 | 0.50 |
| ▸ | CA12 | O43570 | 7/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.50 |
| ▸ | SORD | Q00796 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.48 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30228183 | 0.86 | CA9 (0.68) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL2979482 | 0.86 | CA9 (0.68) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL2991679 | 0.84 | CA9 (0.51) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL7813458 | 0.83 | CA9 (0.69) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL2985971 | 0.83 | CA12 (0.50) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL8976932 | 0.82 | CA9 (0.44) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL5085649 | 0.81 | CA12 (0.75) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL7808379 | 0.79 | ALOX5 (0.47) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL29182639 | 0.79 | CA9 (0.54) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL9009056 | 0.78 | CA9 (0.43) | CA9CA12AKR1B1MAOBALDH2 |
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 7 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-0788497-A1 | BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1997-08-13 | — | — | EP | disclosed |
| EP-0788490-A1 | BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1997-08-13 | — | — | EP | disclosed |
| US-5552437-A | ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-09-03 | — | — | 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 |