Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.44 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9280371 | 0.99 | KCNH2 (0.68) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 | |
| SCHEMBL9492676 | 0.90 | KCNH2 (0.57) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL10400151 | 0.89 | KCNH2 (0.56) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 | |
| SCHEMBL9114669 | 0.87 | KCNH2 (0.71) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL9280379 | 0.86 | KCNH2 (0.51) | KCNH2KMT2AGAAATMHTT | |
| SCHEMBL7327014 | 0.85 | KCNH2 (0.76) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 | |
| SCHEMBL7265181 | 0.85 | KCNH2 (0.76) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 | |
| SCHEMBL7328234 | 0.85 | KCNH2 (0.75) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL9113987 | 0.84 | KCNH2 (0.75) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 | |
| SCHEMBL7333091 | 0.83 | KCNH2 (0.73) | KCNH2KMT2ASMPD1CYP3A4CYP1A2 |
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-1995007884-A1 | ALKANEDIAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ARRHYTHMIC AND ISCHAEMIC RHYTHM DISORDERS | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1995-03-23 | — | — | WO | claimed |