Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 6/20 | 0.39 |
| ▸ | DRD4 | P21917 | 4/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 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 | |
|---|---|---|---|---|
| SCHEMBL14971091 | 0.93 | DRD2 (0.44) | DRD2DRD4DRD3HTR1APOLB | |
| SCHEMBL14966240 | 0.91 | KIT (0.40) | LSSDRD2DRD4DRD3POLB | |
| SCHEMBL14965513 | 0.89 | LSS (0.46) | LSSPOLBALDH1A1 | |
| SCHEMBL14966131 | 0.89 | DRD2 (0.49) | DRD2DRD4DRD3HTR1AKDM4E | |
| SCHEMBL14965795 | 0.87 | CYP11B1 (0.45) | DRD2DRD4DRD3ROCK2ROCK1 | |
| SCHEMBL14966336 | 0.86 | DRD2 (0.45) | DRD2DRD4DRD3ROCK2ROCK1 | |
| SCHEMBL14966082 | 0.85 | FAAH (0.46) | POLBKDM4EALDH1A1 | |
| SCHEMBL14966085 | 0.85 | FAAH (0.46) | POLBKDM4EALDH1A1 | |
| SCHEMBL14969448 | 0.85 | MEN1 (0.41) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL14965699 | 0.84 | SMN1; SMN2 (0.43) | POLBKDM4EALDH1A1TDP1 |
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 |