Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | SMPD1 | P17405 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7328234 | 0.85 | KCNH2 (0.75) | KCNH2CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL7265181 | 0.84 | KCNH2 (0.76) | KCNH2CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL7327014 | 0.84 | KCNH2 (0.76) | KCNH2CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL7333091 | 0.84 | KCNH2 (0.73) | KCNH2CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL18239557 | 0.83 | CYP3A4 (0.90) | KCNH2CYP3A4CYP1A2CYP2D6BLM | |
| Hydrochloric Acid SCHEMBL9113987 | 0.83 | KCNH2 (0.75) | KCNH2CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL9114669 | 0.83 | KCNH2 (0.71) | KCNH2CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL6184511 | 0.83 | KMT2A (0.62) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| SCHEMBL27590685 | 0.83 | CYP3A4 (0.56) | KCNH2CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL7358098 | 0.82 | KDM4E (0.48) | KCNH2CYP3A4ALDH1A1MEN1KMT2A |
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-0852142-A1 | Diamines in the treatment of arrhythmia | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1998-07-08 | — | — | EP | disclosed |
| EP-0639973-A1 | DIAMINES IN THE TREATMENT OF ARRHYTHMIA | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1995-03-01 | — | — | EP | disclosed |
| WO-1993023024-A1 | DIAMINES IN THE TREATMENT OF ARRHYTHMIA | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1993-11-25 | — | — | WO | disclosed |