Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 4/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 1/20 | 0.32 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.32 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3815536 | 0.91 | BACE1 (0.39) | ADORA2ABACE1MPOMAOAMAOB | |
| SCHEMBL1378529 | 0.81 | APP (0.37) | BACE1MAOAMAOBNOS3NOS1 | |
| SCHEMBL3814663 | 0.79 | BACE1 (0.33) | ADORA2ABACE1MPO | |
| SCHEMBL3819751 | 0.76 | CYP1A2 (0.35) | BACE1MAOAMAOBNOS3NOS1 | |
| SCHEMBL1382631 | 0.73 | CYP1A2 (0.37) | BACE1MAOAMAOBNOS3NOS1 | |
| SCHEMBL1381051 | 0.70 | NOS1 (0.38) | MPONOS1GRM5 | |
| SCHEMBL16504438 | 0.69 | GAA (0.40) | ADORA2AGAAGRM5AHRL3MBTL1 | |
| SCHEMBL1379821 | 0.68 | NUDT1 (0.35) | — | |
| SCHEMBL331709 | 0.67 | — | — | |
| SCHEMBL29598348 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4719744-B2 | — | — | 2011-07-06 | — | — | JP | claimed |
| EP-1776355-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | claimed |
| EP-1776355-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-04-25 | — | — | EP | claimed |
| WO-2006014877-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | claimed |
| EP-1776355-A4 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1776355-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006014877-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |