Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965658 | 0.91 | CHRM1 (0.48) | CHRM1KCNH2DRD4ABL1ROCK2 | |
| SCHEMBL14966118 | 0.89 | ALDH1A1 (0.39) | CHRM1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL14965842 | 0.89 | CHRM1 (0.59) | CHRM1KCNH2DRD4ABL1DRD2 | |
| SCHEMBL14965591 | 0.88 | CHRM3 (0.47) | CHRM1KCNH2ABL1ROCK2ROCK1 | |
| SCHEMBL14965884 | 0.88 | CHRM1 (0.46) | CHRM1KCNH2DRD4ABL1DRD2 | |
| SCHEMBL14965624 | 0.86 | CHRM1 (0.57) | CHRM1KCNH2DRD4DRD2STAT3 | |
| SCHEMBL14965968 | 0.86 | LMNA (0.48) | CHRM1KDM4EALDH1A1FAAH | |
| SCHEMBL14965849 | 0.86 | CHRM1 (0.44) | CHRM1KCNH2ROCK2ROCK1CHRM3 | |
| SCHEMBL14966152 | 0.85 | ALDH1A1 (0.51) | CHRM1KCNH2ABL1KDM4EALDH1A1 | |
| SCHEMBL14965916 | 0.85 | ABL1 (0.56) | CHRM1KCNH2ABL1CHRM3ALDH1A1 |
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 |