Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7773393 | 0.99 | KCNH2 (0.43) | KCNH2DRD2MAPTCACNA1GNPC1 | |
| SCHEMBL27565704 | 0.95 | DRD2 (0.48) | KCNH2DRD2MAPTNPC1RAB9A | |
| SCHEMBL27565678 | 0.91 | NPC1 (0.44) | KCNH2DRD2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7773194 | 0.80 | KCNH2 (0.44) | KCNH2DRD2MAPTCACNA1GNPC1 | |
| SCHEMBL7773431 | 0.79 | CSNK1D (0.46) | DRD2MAPTDRD4HTR2AHTR7 | |
| SCHEMBL27565741 | 0.79 | NPC1 (0.43) | DRD2MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7775460 | 0.79 | NPC1 (0.48) | DRD2MAPTNPC1RAB9ASMN1; SMN2 | |
| Bromide SCHEMBL7773390 | 0.79 | KCNH2 (0.43) | KCNH2DRD2MAPTCACNA1GNPC1 | |
| Bromide SCHEMBL7775348 | 0.79 | CSNK1D (0.45) | DRD2MAPTDRD4HTR2AHTR7 | |
| Bromide SCHEMBL7857772 | 0.78 | NPC1 (0.47) | DRD2MAPTNPC1RAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | disclosed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |