Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 5/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
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) | CYP11B1CHRM3DRD2HTR1AROCK2 | |
| SCHEMBL14965764 | 0.91 | MCHR1 (0.42) | DRD2HTR1AROCK2ROCK1SLC2A1 | |
| SCHEMBL14965986 | 0.91 | KCNJ1 (0.41) | CYP11B1KCNJ1KCNH2 | |
| SCHEMBL14971091 | 0.90 | DRD2 (0.44) | DRD2HTR1ADRD4DRD3MCHR1 | |
| SCHEMBL14965790 | 0.89 | DRD2 (0.38) | CYP11B1DRD2HTR1ADRD4DRD3 | |
| SCHEMBL14966205 | 0.87 | LSS (0.46) | DRD2HTR1AROCK2ROCK1DRD4 | |
| SCHEMBL14965508 | 0.86 | CAMKK2 (0.37) | CYP11B1DRD2HTR1ASRCKCNJ1 | |
| SCHEMBL14966131 | 0.85 | DRD2 (0.49) | CHRM3DRD2HTR1ADRD4DRD3 | |
| SCHEMBL14965893 | 0.84 | SCN9A (0.37) | CYP11B1DRD2HTR1ASLC2A1SRC | |
| SCHEMBL14966240 | 0.84 | KIT (0.40) | CYP11B1DRD2DRD4DRD3 |
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 2 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 |