Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | CLK1 | P49759 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 2/20 | 0.31 |
| ▸ | SSTR2 | P30874 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL968793 | 0.81 | BACE1 (0.46) | KCNH2ABCB1WDR5BACE1BACE2 | |
| SCHEMBL933016 | 0.80 | BACE1 (0.45) | HDAC1BACE1BACE2MAPT | |
| SCHEMBL933518 | 0.80 | HDAC1 (0.39) | HDAC1BACE1BACE2MAPT | |
| SCHEMBL932395 | 0.79 | BACE1 (0.55) | BACE1BACE2 | |
| Hydrochloric Acid SCHEMBL932408 | 0.78 | BACE1 (0.35) | BACE1BACE2 | |
| SCHEMBL933031 | 0.73 | BACE1 (0.36) | BACE1BACE2 | |
| SCHEMBL932343 | 0.73 | BACE1 (0.37) | WDR5BACE1BACE2ABL1 | |
| SCHEMBL18192805 | 0.73 | BACE1 (0.44) | KCNH2ABCB1WDR5BACE1BACE2 | |
| SCHEMBL18192849 | 0.73 | BACE1 (0.44) | KCNH2ABCB1WDR5BACE1BACE2 | |
| SCHEMBL933505 | 0.72 | CYP1A2 (0.36) | HDAC1BACE1MAPT |
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-2451793-A1 | BACE INHIBITORS | Eli Lilly and Company (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005738-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |