Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 4/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965391 | 0.92 | FAAH (0.38) | CHRNA7CD274FAAHALDH1A1CLK4 | |
| SCHEMBL14971108 | 0.83 | ALDH1A1 (0.44) | FAAHALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14965513 | 0.82 | LSS (0.46) | ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2 | |
| SCHEMBL14966106 | 0.82 | SMN1; SMN2 (0.46) | KCNH2ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14969428 | 0.81 | MAP3K11 (0.42) | KCNH2FAAHALDH1A1LMNAMAPT | |
| SCHEMBL14965918 | 0.81 | ALDH1A1 (0.37) | KCNH2ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14965746 | 0.81 | DRD2 (0.41) | KCNH2ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14966132 | 0.81 | DRD4 (0.44) | ALDH1A1LMNAMAPTSMN1; SMN2MCHR1 | |
| SCHEMBL14966198 | 0.81 | KCNJ1 (0.40) | CD274ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14965368 | 0.80 | KCNJ1 (0.40) | ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2 |
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 |