Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.54 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.54 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.54 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5773479 | 1.00 | ABCB1 (0.54) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL5772323 | 0.97 | ABCB1 (0.52) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL5771716 | 0.97 | ABCB1 (0.52) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL1602236 | 0.94 | ABCB1 (0.52) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL1602567 | 0.94 | ABCB1 (0.52) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL1601481 | 0.93 | ABCB1 (0.51) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL1602122 | 0.93 | ABCB1 (0.51) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL1600586 | 0.92 | ABCB1 (0.51) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL1601702 | 0.92 | ABCB1 (0.51) | ABCB1KCNE1KCNQ1KCNH2SCN5A | |
| SCHEMBL1602513 | 0.92 | ABCB1 (0.50) | ABCB1KCNE1KCNQ1KCNH2SCN5A |
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-1637518-A2 | Inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1159278-B1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMA (US) | 2005-11-30 | — | — | EP | disclosed |