Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 4/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | DHPS | P49366 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3674960 | 0.79 | CYP11B1 (0.33) | CYP11B1CYP11B2MAOACYP1A2 | |
| SCHEMBL841717 | 0.78 | SCN9A (0.50) | SCN9ASCN5ACYP11B1CYP11B2TDO2 | |
| Ammonia Solution, Strong SCHEMBL3672627 | 0.77 | SCN9A (0.49) | SCN9ASCN5ACYP11B1CYP11B2TDO2 | |
| SCHEMBL3672940 | 0.76 | DHFR (0.33) | — | |
| SCHEMBL3668903 | 0.75 | SCN9A (0.41) | SCN9ASCN5AKCNH2 | |
| SCHEMBL3673795 | 0.75 | DHFR (0.33) | SCN9ASCN5AKCNH2 | |
| SCHEMBL3668938 | 0.73 | NPC1 (0.37) | SCN9A | |
| SCHEMBL3673793 | 0.73 | PIM1 (0.33) | CYP11B1CYP11B2 | |
| SCHEMBL3667284 | 0.73 | KCNH2 (0.46) | SCN9ASCN5AKCNH2 | |
| SCHEMBL3674446 | 0.73 | IDO1 (0.38) | — |
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-2158198-A2 | NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN | AstraZeneca AB (SE) | 2010-03-03 | — | — | EP | disclosed |
| WO-2008130320-A2 | NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2008-10-30 | — | — | WO | disclosed |