Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5801598 | 0.76 | ADORA2A (0.54) | ADORA2ASCN9AGLA | |
| SCHEMBL6336337 | 0.76 | SCN9A (0.48) | ADORA2AACHEADORA1SCN9AMAPK14 | |
| SCHEMBL5788698 | 0.76 | SLC6A2 (0.44) | ADORA2AACHECYP2D6SLC6A2SLC6A4 | |
| SCHEMBL5787957 | 0.75 | ADORA2A (0.48) | ADORA2AACHEADORA1GRM2MAPK14 | |
| Hydrochloric Acid SCHEMBL5805884 | 0.75 | ADORA2A (0.53) | ADORA2ASCN9AGLA | |
| SCHEMBL6328906 | 0.74 | SCN9A (0.47) | ADORA2AADORA1SCN9AGLA | |
| SCHEMBL6329602 | 0.71 | SCN9A (0.47) | ADORA2ASCN9AGLA | |
| SCHEMBL4753567 | 0.69 | MAPT (0.41) | ADORA2AACHEADORA1GRM2GLA | |
| SCHEMBL5813840 | 0.69 | BPTF (0.47) | ADORA2ASCN9A | |
| SCHEMBL4090714 | 0.69 | MAPT (0.42) | ACHEGRM2CYP3A4CYP2D6CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685115-A1 | NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | Warner-Lambert Company LLC (US) | 2006-08-02 | — | — | EP | claimed |
| WO-2005042501-A1 | NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | WARNER-LAMBERT COMPANY LLC (US) | 2005-05-12 | — | — | WO | claimed |