Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965541 | 0.86 | CD274 (0.39) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14971108 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14965746 | 0.86 | DRD2 (0.41) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14966198 | 0.85 | KCNJ1 (0.40) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14965513 | 0.85 | LSS (0.46) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14965825 | 0.85 | CD274 (0.38) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14965550 | 0.85 | SLC2A1 (0.39) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14965750 | 0.85 | CHKA (0.43) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14965368 | 0.83 | KCNJ1 (0.40) | ALDH1A1KCNJ1MAPTLMNASMN1; SMN2 | |
| SCHEMBL14966142 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KCNJ1MAPTLMNASMN1; 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 |
|---|---|---|---|---|---|---|---|
| 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 |