Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL3187894 | 0.84 | KCNH2 (0.83) | KCNH2HTR1ADRD2HTR2AHTR7 | |
| SCHEMBL3200018 | 0.83 | KDM4E (0.69) | KCNH2CYP2D6KDM4EGAAHTR1A | |
| SCHEMBL3434360 | 0.81 | KCNH2 (0.51) | KCNH2KDM4EGAAHTR1ADRD2 | |
| SCHEMBL8957648 | 0.80 | KCNH2 (0.80) | KCNH2CYP2D6HTR1ADRD2HTR2A | |
| SCHEMBL5185949 | 0.80 | LMNA (0.55) | KCNH2CYP2D6HTR1ADRD2HTR2A | |
| Hydrochloric Acid SCHEMBL2213147 | 0.78 | KCNH2 (0.78) | KCNH2CYP2D6HTR1ADRD2HTR2A | |
| SCHEMBL5187801 | 0.78 | KCNH2 (0.56) | KCNH2CYP2D6KDM4EGAAHTR1A | |
| SCHEMBL22188270 | 0.78 | MMP2 (0.38) | KCNH2CYP2D6DRD2HSD17B10 | |
| SCHEMBL11618967 | 0.78 | CYP2D6 (0.70) | CYP2D6KDM4EGAAHTR1ADRD2 | |
| SCHEMBL7055358 | 0.78 | KCNH2 (0.51) | KCNH2KDM4EGAADRD2SIGMAR1 |
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-2003028728-A1 | 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS | Richter Gedeon Vegyészeti Gyár Rt. (HU) | 2003-04-10 | — | — | WO | disclosed |