Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | GPR39 | O43194 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965986 | 0.88 | KCNJ1 (0.41) | KCNH2KCNJ1HRH3MAPTALDH1A1 | |
| SCHEMBL14965894 | 0.86 | HIF1A (0.41) | MCHR1KCNH2TNIK | |
| SCHEMBL14965893 | 0.85 | SCN9A (0.37) | MCHR1HSD11B1SRCKCNH2KCNJ1 | |
| SCHEMBL14965790 | 0.84 | DRD2 (0.38) | SRCKCNH2KCNJ1TNIKCYP11B1 | |
| SCHEMBL14966215 | 0.84 | CYP11B1 (0.43) | HSD11B1SRCKCNH2KCNJ1HRH3 | |
| SCHEMBL14965795 | 0.83 | CYP11B1 (0.45) | MCHR1SRCKCNH2KCNJ1CYP11B1 | |
| SCHEMBL14965410 | 0.83 | DRD2 (0.38) | SRCKCNH2KDM4EALDH1A1 | |
| SCHEMBL14965939 | 0.82 | PDE9A (0.39) | SRCKCNH2KCNJ1KDM4EALDH1A1 | |
| SCHEMBL14965663 | 0.82 | KCNH2 (0.35) | KCNH2KCNJ1HRH3MAPTKDM4E | |
| SCHEMBL14965508 | 0.82 | CAMKK2 (0.37) | SRCKCNH2KCNJ1HRH3MAPT |
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 |