Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966131 | 0.94 | DRD2 (0.49) | DRD2DRD4DRD3SLC2A1PDE4B | |
| SCHEMBL14965866 | 0.89 | DRD2 (0.42) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL14971108 | 0.89 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAMAPTKCNJ1 | |
| SCHEMBL14965749 | 0.89 | CYP11B1 (0.43) | DRD2DRD4DRD3PDE4BALDH1A1 | |
| SCHEMBL14965761 | 0.88 | S1PR5 (0.44) | ALDH1A1LMNAMAPTKCNJ1RAB9A | |
| SCHEMBL14965410 | 0.88 | DRD2 (0.38) | DRD2DRD4DRD3SLC2A1ALDH1A1 | |
| SCHEMBL14965683 | 0.87 | DRD2 (0.43) | DRD2DRD4DRD3PDE4BALDH1A1 | |
| SCHEMBL14971091 | 0.87 | DRD2 (0.44) | DRD2DRD4DRD3ALDH1A1SMN1; SMN2 | |
| SCHEMBL14965511 | 0.86 | LTA4H (0.40) | SLC2A1ALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL14965626 | 0.86 | LTA4H (0.40) | SLC2A1ALDH1A1SMN1; SMN2LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | claimed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |