Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 2/20 | 0.38 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965842 | 0.97 | CHRM1 (0.59) | CHRM1KCNH2ALDH1A1TSHRPTGS1 | |
| SCHEMBL14966124 | 0.92 | CHRM1 (0.54) | CHRM1KCNH2ALDH1A1TSHRPTGS1 | |
| SCHEMBL14965658 | 0.91 | CHRM1 (0.48) | CHRM1KCNH2ALDH1A1TSHRPTGS1 | |
| SCHEMBL14966083 | 0.90 | CHRM1 (0.52) | CHRM1KCNH2ALDH1A1TSHRPTGS1 | |
| SCHEMBL14966106 | 0.88 | SMN1; SMN2 (0.46) | CHRM1KCNH2ALDH1A1TSHRDRD4 | |
| SCHEMBL14965750 | 0.88 | CHKA (0.43) | CHRM1KCNH2ALDH1A1KCNJ1 | |
| SCHEMBL14965483 | 0.87 | CHRM1 (0.49) | CHRM1KCNH2ALDH1A1TSHRPTGS1 | |
| SCHEMBL14965959 | 0.87 | KCNH2 (0.53) | CHRM1KCNH2ALDH1A1TSHRSTAT3 | |
| SCHEMBL14965737 | 0.87 | CHRM1 (0.49) | CHRM1KCNH2ALDH1A1TSHR | |
| SCHEMBL14966147 | 0.87 | KCNH2 (0.53) | CHRM1KCNH2ALDH1A1TSHRSTAT3 |
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 |