Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.49 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | TEAD1 | P28347 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965842 | 0.95 | CHRM1 (0.59) | CHRM1KCNH2BCHEACHEBACE1 | |
| SCHEMBL14966083 | 0.92 | CHRM1 (0.52) | CHRM1KCNH2BCHEACHEBACE1 | |
| SCHEMBL14965624 | 0.92 | CHRM1 (0.57) | CHRM1KCNH2BCHEACHEBACE1 | |
| SCHEMBL14965737 | 0.89 | CHRM1 (0.49) | CHRM1KCNH2ALDH1A1TSHRABL1 | |
| SCHEMBL14965884 | 0.86 | CHRM1 (0.46) | CHRM1KCNH2BCHEACHEBACE1 | |
| SCHEMBL14965959 | 0.86 | KCNH2 (0.53) | CHRM1KCNH2ALDH1A1TSHRRAB9A | |
| SCHEMBL14966147 | 0.86 | KCNH2 (0.53) | CHRM1KCNH2ALDH1A1TSHRRAB9A | |
| SCHEMBL14965548 | 0.85 | CHRM1 (0.52) | CHRM1KCNH2PTGS1SLC6A2SLC6A4 | |
| SCHEMBL14966248 | 0.84 | HIF1A (0.51) | CHRM1KCNH2RAB9AABL1 | |
| SCHEMBL14965784 | 0.84 | CHRM1 (0.49) | CHRM1KCNH2ALDH1A1PTGS1SLC6A2 |
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 |