Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7327014 | 0.90 | KCNH2 (0.76) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| SCHEMBL7328234 | 0.90 | KCNH2 (0.75) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| Hydrochloric Acid SCHEMBL9113987 | 0.89 | KCNH2 (0.75) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| SCHEMBL7333091 | 0.88 | KCNH2 (0.73) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| SCHEMBL7359612 | 0.87 | KCNH2 (0.72) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| SCHEMBL9114669 | 0.86 | KCNH2 (0.71) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| SCHEMBL30357973 | 0.86 | KCNH2 (1.00) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| Hydrochloric Acid SCHEMBL7333187 | 0.85 | KCNH2 (0.98) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| SCHEMBL9113035 | 0.85 | KCNH2 (0.69) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 | |
| Hydrochloric Acid SCHEMBL678425 | 0.85 | KCNH2 (0.96) | KCNH2CYP3A4CYP1A2CYP2D6SMPD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0233762-B1 | USE OF AROMATIC DIAMINES FOR THE TREATMENT OF ANGINA PECTORIS, AND DIAMINES THEREFOR | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1992-08-19 | — | — | EP | claimed |