Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 4/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965410 | 0.87 | DRD2 (0.38) | DRD2DRD4DRD3SLC2A1KCNH2 | |
| SCHEMBL14966131 | 0.86 | DRD2 (0.49) | DRD2HTR1ADRD4DRD3SLC2A1 | |
| SCHEMBL14965746 | 0.85 | DRD2 (0.41) | DRD2DRD4DRD3SLC2A1KCNH2 | |
| SCHEMBL14965683 | 0.85 | DRD2 (0.43) | DRD2HTR1ADRD4DRD3KCNH2 | |
| SCHEMBL14965749 | 0.85 | CYP11B1 (0.43) | DRD2DRD4DRD3ALDH1A1CHRM1 | |
| SCHEMBL14966129 | 0.85 | SCN9A (0.37) | DRD2HTR1ACXCR4SLC2A1KCNH2 | |
| SCHEMBL14965655 | 0.84 | PDE4B (0.36) | DRD2DRD4DRD3SLC2A1ADORA2A | |
| SCHEMBL14966064 | 0.83 | JAK2 (0.34) | DRD2HTR1APIK3R1PIK3CAALDH1A1 | |
| SCHEMBL14966011 | 0.83 | MTOR (0.37) | DRD2HTR1APIK3R1PIK3CAKCNH2 | |
| SCHEMBL14966353 | 0.83 | JAK2 (0.37) | DRD2HTR1AKCNH2LMNAHTT |
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-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |