Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7696108 | 0.85 | OPRK1 (0.42) | CYP2D6OPRM1OPRD1OPRK1KCNH2 | |
| SCHEMBL7699534 | 0.81 | KEAP1 (0.42) | CYP2D6OPRM1OPRD1OPRK1ALDH1A1 | |
| SCHEMBL8213885 | 0.80 | RORC (0.41) | CYP2D6OPRM1OPRD1OPRK1ALDH1A1 | |
| Fumaric Acid SCHEMBL7700757 | 0.79 | KCNH2 (0.44) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7700761 | 0.79 | KCNH2 (0.44) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7886297 | 0.73 | MEN1 (0.43) | CYP1A2CYP2C19GAAADRB2ADRB1 | |
| SCHEMBL27446337 | 0.73 | MEN1 (0.41) | CYP1A2CYP2C19GAAADRB2ADRB1 | |
| SCHEMBL21895867 | 0.70 | LMNA (0.41) | ALDH1A1CYP1A2CYP2C19GAAEGFR | |
| Hydrochloric Acid SCHEMBL7701317 | 0.69 | KCNH2 (0.47) | CYP2D6ALDH1A1KCNH2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7702535 | 0.68 | KCNH2 (0.47) | CYP2D6ALDH1A1KCNH2CYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1140498-C | Novel antiarrhythmic compounds | ҩ���о�Ժ������ҵ | 2004-03-03 | — | — | CN | disclosed |
| EP-1037871-B1 | NOVEL ANTIARRHYTHMIC COMPOUNDS | GYOGYSZERKUTATO INTEZET (HU) | 2002-07-03 | — | — | EP | disclosed |
| US-6265445-B1 | CARDIOVASCULAR DISORDERS | GYOGYSZERKUTATO INTEZET KFT (HU) | 2001-07-24 | — | — | US | disclosed |
| CN-1284941-A | Novel antiarrhythmic compounds | PHARMACEUTICAL RES INST PUBLIC (HU) | 2001-02-21 | — | — | CN | disclosed |