Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966212 | 0.93 | HSD11B1 (0.44) | CHRM1PDE2AKCNH2HSD11B1MGLL | |
| SCHEMBL14965524 | 0.91 | CHRM1 (0.51) | CHRM1KCNH2HSD11B1MGLLMAPK7 | |
| SCHEMBL14965843 | 0.84 | CHRM1 (0.48) | CHRM1KCNH2HSD11B1MGLLMAPK7 | |
| SCHEMBL14965637 | 0.82 | CHRM1 (0.51) | CHRM1KCNH2PTGS1SLC6A2SLC6A4 | |
| SCHEMBL14965784 | 0.80 | CHRM1 (0.49) | CHRM1KCNH2MGLLALDH1A1KDM4E | |
| SCHEMBL14965916 | 0.79 | ABL1 (0.56) | CHRM1KCNH2RAB9AALDH1A1ABL1 | |
| SCHEMBL14966146 | 0.78 | CHRM1 (0.36) | CHRM1KCNH2ALDH1A1 | |
| SCHEMBL14965557 | 0.78 | DRD4 (0.48) | CHRM1KCNH2ALDH1A1 | |
| SCHEMBL14965586 | 0.77 | EPHX2 (0.51) | CHRM1KCNH2MAPT | |
| SCHEMBL14965849 | 0.77 | CHRM1 (0.44) | CHRM1KCNH2 |
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 |