Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | PIM1 | P11309 | 5/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 5/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965624 | 0.91 | CHRM1 (0.57) | CHRM1KCNH2DRD4PTGS1SLC6A2 | |
| SCHEMBL14965784 | 0.91 | CHRM1 (0.49) | CHRM1KCNH2ROCK2ROCK1DRD4 | |
| SCHEMBL14966132 | 0.89 | DRD4 (0.44) | DRD4CHRM3SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL14965842 | 0.89 | CHRM1 (0.59) | CHRM1KCNH2DRD4ABL1PTGS1 | |
| SCHEMBL14965761 | 0.87 | S1PR5 (0.44) | CHRM1ROCK2ROCK1ALDH1A1 | |
| SCHEMBL14965884 | 0.87 | CHRM1 (0.46) | CHRM1KCNH2PIM1DRD4ABL1 | |
| SCHEMBL14965746 | 0.86 | DRD2 (0.41) | CHRM1KCNH2DRD4ALDH1A1 | |
| SCHEMBL14971108 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHR | |
| SCHEMBL14966152 | 0.84 | ALDH1A1 (0.51) | CHRM1KCNH2ABL1ALDH1A1TSHR | |
| SCHEMBL14965916 | 0.84 | 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 |