Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.66 |
| ▸ | DRD3 | P35462 | 3/20 | 0.66 |
| ▸ | HTR1A | P08908 | 8/20 | 0.58 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.57 |
| ▸ | DRD4 | P21917 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR6 | P50406 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL21802161 | 0.86 | DRD2 (0.66) | DRD2DRD3HTR1AADRA1DADRA1A | |
| SCHEMBL7058203 | 0.86 | HTR1A (0.60) | DRD2DRD3HTR1AADRA1DHTR7 | |
| SCHEMBL21802088 | 0.85 | DRD2 (0.83) | DRD2DRD3HTR1AADRA1DHTR7 | |
| SCHEMBL7056493 | 0.83 | HTR1A (0.76) | DRD2DRD3HTR1AADRA1DHTR7 | |
| SCHEMBL9026888 | 0.83 | DRD2 (0.79) | DRD2DRD3HTR1AADRA1DHTR7 | |
| SCHEMBL7052887 | 0.81 | DRD2 (0.64) | DRD2DRD3HTR1AADRA1DHTR7 | |
| SCHEMBL22125572 | 0.81 | ADRA1B (0.73) | DRD2DRD3HTR1AADRA1DHTR7 | |
| SCHEMBL7052673 | 0.80 | ADRA1B (0.48) | DRD2DRD3HTR1AHTR7ADRA1A | |
| SCHEMBL14028451 | 0.78 | HTR1A (0.79) | DRD2DRD3HTR1A | |
| SCHEMBL7053668 | 0.78 | HTR1A (0.61) | DRD2DRD3HTR1AADRA1DHTR7 |
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 |