Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL1381099 | 0.91 | ADORA2A (0.35) | BACE1MPOADORA2AAPPKDM1A | |
| SCHEMBL3814663 | 0.84 | BACE1 (0.33) | BACE1MPOADORA2A | |
| SCHEMBL1381051 | 0.76 | NOS1 (0.38) | MPONOS1 | |
| SCHEMBL331709 | 0.74 | — | — | |
| SCHEMBL29598348 | 0.74 | — | — | |
| SCHEMBL13830973 | 0.72 | NOS2 (0.45) | BACE1MPOAPPMCHR1NOS2 | |
| SCHEMBL15316717 | 0.71 | KDM1A (0.43) | MPOADORA2AKDM1AMAOAMAOB | |
| SCHEMBL1377889 | 0.70 | KCNA5 (0.36) | BACE1APP | |
| SCHEMBL1379821 | 0.70 | NUDT1 (0.35) | — | |
| SCHEMBL3812287 | 0.70 | CYP19A1 (0.33) | ADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |