Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1046316 | 0.88 | CHRM1 (0.40) | KCNH2CHRM1ALDH1A1LMNANPC1 | |
| SCHEMBL14965846 | 0.84 | HTT (0.39) | KCNH2CHRM1ALDH1A1LMNANPC1 | |
| SCHEMBL3469461 | 0.82 | CHRM1 (0.39) | KCNH2CHRM1ALDH1A1LMNANPC1 | |
| SCHEMBL14966092 | 0.79 | LMNA (0.42) | KCNH2LMNAPKM | |
| SCHEMBL14965869 | 0.78 | ALDH1A1 (0.41) | KCNH2CHRM1ALDH1A1LMNANPC1 | |
| SCHEMBL14966258 | 0.78 | KMT2A (0.46) | ALDH1A1LMNAPKMHTTSMN1; SMN2 | |
| SCHEMBL14965840 | 0.78 | HRH3 (0.57) | ALDH1A1NPC1PKMRAB9AHTT | |
| SCHEMBL14965567 | 0.77 | CHRM1 (0.36) | KCNH2CHRM1ALDH1A1SIRT6LMNA | |
| SCHEMBL14965582 | 0.77 | HSD17B10 (0.38) | KCNH2CHRM1ALDH1A1LMNAMAPT | |
| SCHEMBL14966101 | 0.77 | CHRM1 (0.35) | KCNH2CHRM1ALDH1A1 |
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 |