Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 8/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965608 | 0.88 | CHRM1 (0.48) | EPHX2CHRM1KCNH2PTGS1SLC6A2 | |
| SCHEMBL14965728 | 0.88 | EPHX2 (0.47) | EPHX2CHRM1 | |
| SCHEMBL14965586 | 0.87 | EPHX2 (0.51) | EPHX2CYP2C9CYP2C19CHRM1POLB | |
| SCHEMBL14965637 | 0.83 | CHRM1 (0.51) | EPHX2CYP2C9CYP2C19CHRM1POLB | |
| SCHEMBL14965709 | 0.82 | CHRM1 (0.46) | EPHX2CHRM1KCNH2MCHR1PTGS1 | |
| SCHEMBL14965973 | 0.81 | CHRM1 (0.51) | EPHX2CHRM1KCNH2MCHR1PTGS1 | |
| SCHEMBL14965945 | 0.79 | BLM (0.55) | — | |
| SCHEMBL13873286 | 0.78 | EPHX2 (0.69) | EPHX2CYP2C9CYP2C19POLB | |
| SCHEMBL14966280 | 0.77 | SMN1; SMN2 (0.52) | POLB | |
| SCHEMBL14965836 | 0.77 | MCHR1 (0.41) | EPHX2CHRM1KCNH2MCHR1PTGS1 |
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 |