Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | CCKBR | P32239 | 3/20 | 0.43 |
| ▸ | POLQ | O75417 | 3/20 | 0.38 |
| ▸ | XIAP | P98170 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7744698 | 0.87 | KCNH2 (0.47) | KCNH2POLQXIAPP2RX7EPHX2 | |
| SCHEMBL7036499 | 0.81 | KCNH2 (0.49) | KCNH2CCKBRPOLQXIAPP2RX7 | |
| SCHEMBL7743998 | 0.79 | KCNH2 (0.61) | KCNH2CCKBR | |
| SCHEMBL7854692 | 0.79 | KCNH2 (0.49) | KCNH2CCKBRPOLQXIAPP2RX7 | |
| SCHEMBL7036496 | 0.76 | KCNH2 (0.57) | KCNH2CCKBRPOLQXIAPSCN9A | |
| SCHEMBL7744138 | 0.74 | KCNH2 (0.80) | KCNH2CCKBR | |
| SCHEMBL8620108 | 0.73 | KCNH2 (0.77) | KCNH2CCKBRSCN9A | |
| SCHEMBL7744124 | 0.73 | KCNH2 (0.55) | KCNH2CCKBRPOLQXIAPP2RX7 | |
| SCHEMBL7744000 | 0.73 | KCNH2 (0.55) | KCNH2CCKBRPOLQXIAPP2RX7 | |
| SCHEMBL7965787 | 0.72 | KCNH2 (0.85) | KCNH2CCKBR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001010216-A1 | ANTIARRHYTHMIC COMPOUNDS | MERCK & CO., INC. (US) | 2001-02-15 | — | — | WO | disclosed |