Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966336 | 0.94 | DRD2 (0.45) | MCHR1SLC2A1TNIKKCNJ1KCNH2 | |
| SCHEMBL14965795 | 0.91 | CYP11B1 (0.45) | MCHR1SLC2A1KCNJ1KCNH2HTR1A | |
| SCHEMBL14965986 | 0.91 | KCNJ1 (0.41) | PRKAA2KCNJ1KCNH2 | |
| SCHEMBL14971108 | 0.87 | ALDH1A1 (0.44) | KCNJ1 | |
| SCHEMBL14965746 | 0.86 | DRD2 (0.41) | SLC2A1KCNJ1KCNH2DRD2 | |
| SCHEMBL14971091 | 0.84 | DRD2 (0.44) | MCHR1HTR1ADRD2 | |
| SCHEMBL14965511 | 0.84 | LTA4H (0.40) | SLC2A1 | |
| SCHEMBL14966132 | 0.84 | DRD4 (0.44) | MCHR1SLC2A1HTR1ADRD2ADORA2A | |
| SCHEMBL14965626 | 0.84 | LTA4H (0.40) | SLC2A1 | |
| SCHEMBL14965761 | 0.84 | S1PR5 (0.44) | KCNJ1ROCK2ROCK1 |
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 |