Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 14/20 | 0.58 |
| ▸ | DRD3 | P35462 | 14/20 | 0.58 |
| ▸ | DRD4 | P21917 | 8/20 | 0.58 |
| ▸ | HTR1A | P08908 | 4/20 | 0.55 |
| ▸ | HTR2A | P28223 | 3/20 | 0.55 |
| ▸ | HTR2C | P28335 | 3/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7052599 | 0.93 | DRD2 (0.51) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7056485 | 0.91 | DRD2 (0.64) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7049915 | 0.90 | DRD2 (0.51) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7057561 | 0.85 | DRD2 (0.61) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7057784 | 0.85 | DRD2 (0.48) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7054878 | 0.84 | DRD2 (0.64) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7050986 | 0.83 | DRD3 (0.56) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7055010 | 0.81 | DRD2 (0.61) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7056494 | 0.81 | DRD2 (0.60) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7055031 | 0.81 | DRD2 (0.64) | DRD2DRD3DRD4ADRA1A |
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 |