Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6282906 | 0.73 | KEAP1 (0.39) | ALDH1A1KEAP1NFE2L2CYP2D6CHRM2 | |
| SCHEMBL27489829 | 0.69 | KDM4E (0.39) | ALDH1A1KEAP1NFE2L2CYP2D6CHRM2 | |
| SCHEMBL22945164 | 0.68 | EPHX1 (0.37) | ALDH1A1KEAP1NFE2L2CHRM2CHRM1 | |
| SCHEMBL29006992 | 0.67 | KEAP1 (0.39) | ALDH1A1KEAP1NFE2L2CYP2D6GRM2 | |
| SCHEMBL1411012 | 0.67 | KEAP1 (0.39) | ALDH1A1KEAP1NFE2L2CYP2D6GRM2 | |
| SCHEMBL1410998 | 0.67 | KEAP1 (0.39) | ALDH1A1KEAP1NFE2L2CYP2D6GRM2 | |
| SCHEMBL27469925 | 0.67 | KEAP1 (0.39) | ALDH1A1KEAP1NFE2L2CYP2D6CHRM2 | |
| SCHEMBL28052591 | 0.67 | CHRM2 (0.33) | ALDH1A1KEAP1NFE2L2CYP2D6CHRM2 | |
| SCHEMBL2846765 | 0.66 | KEAP1 (0.42) | ALDH1A1KEAP1NFE2L2GRM2GRM3 | |
| SCHEMBL873007 | 0.66 | KEAP1 (0.42) | ALDH1A1KEAP1NFE2L2GRM2GRM3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1791599-A1 | COMBINATION OF A 5-HT(1) RECEPTOR AGONIST AND AN ALPHA-2-DELTA LIGAND FOR THE TREATMENT OF MIGRAINE | Pfizer Limited (GB) | 2007-06-06 | — | — | EP | disclosed |
| EP-1763354-A2 | USE OF REBOXETINE FOR THE TREATMENT OF PAIN | Pfizer Limited (GB) | 2007-03-21 | — | — | EP | disclosed |
| WO-2006027681-A1 | COMBINATION OF A 5-HT(1) RECEPTOR AGONIST AND AN ALPHA-2-DELTA LIGAND FOR THE TREATMENT OF MIGRAINE | PFIZER LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |
| WO-2006000903-A2 | USE OF REBOXETINE FOR THE TREATMENT OF PAIN | PFIZER LIMITED (GB) | 2006-01-05 | — | — | WO | disclosed |