Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.45 |
| ▸ | TOP2A | P11388 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.43 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7810788 | 0.81 | TLR8 (0.55) | TOP2ATLR8CYP1A2MEN1MAPT | |
| SCHEMBL9140612 | 0.81 | TLR8 (0.57) | TOP2AELANETLR8ALDH1A1MEN1 | |
| SCHEMBL9139295 | 0.81 | TLR8 (0.59) | HTR1AADRA1DADRA1AADRA1BTOP2A | |
| SCHEMBL757488 | 0.79 | PIK3CA (0.50) | HTR1AADRA1DADRA1AADRA1BTLR8 | |
| SCHEMBL18253163 | 0.77 | GRM4 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL756601 | 0.76 | GRM2 (0.53) | HTR1AADRA1DADRA1AADRA1BTLR8 | |
| SCHEMBL9139594 | 0.76 | IMPDH2 (0.45) | TOP2AELANEALDH1A1MEN1MAPT | |
| SCHEMBL7803931 | 0.75 | GRM2 (0.44) | ELANECHEK1 | |
| SCHEMBL15452489 | 0.74 | CYP2A6 (0.54) | HTR1AADRA1DADRA1AADRA1BELANE | |
| SCHEMBL9140742 | 0.73 | TOP2A (0.36) | ADRA1DADRA1AADRA1BTOP2ATLR8 |
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 5 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-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 |
| WO-1996013500-A1 | BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1996-05-09 | — | — | WO | disclosed |