Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | LIPE | Q05469 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965586 | 0.93 | EPHX2 (0.51) | CHRM1EPHX2KCNH2ACHEPOLB | |
| SCHEMBL14965524 | 0.88 | CHRM1 (0.51) | CHRM1EPHX2KCNH2LIPEPTGS1 | |
| SCHEMBL14965843 | 0.83 | CHRM1 (0.48) | CHRM1EPHX2KCNH2PTGS1SLC6A2 | |
| SCHEMBL14965755 | 0.83 | EPHX2 (0.50) | CHRM1EPHX2KCNH2POLBCYP2C9 | |
| SCHEMBL14965621 | 0.82 | CHRM1 (0.44) | CHRM1KCNH2PTGS1SLC6A2SLC6A4 | |
| SCHEMBL14965959 | 0.81 | KCNH2 (0.53) | CHRM1KCNH2 | |
| SCHEMBL14966147 | 0.81 | KCNH2 (0.53) | CHRM1KCNH2 | |
| SCHEMBL14966217 | 0.80 | CHRM1 (0.50) | CHRM1EPHX2KCNH2PTGS1SLC6A2 | |
| SCHEMBL14966248 | 0.79 | HIF1A (0.51) | CHRM1EPHX2KCNH2CYP2C9 | |
| SCHEMBL14966146 | 0.79 | CHRM1 (0.36) | CHRM1KCNH2 |
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 |