Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965848 | 0.94 | MCHR1 (0.37) | MCHR1CHRM1DYRK1AKCNH2AVPR1B | |
| SCHEMBL14966035 | 0.91 | MCHR1 (0.42) | MCHR1CHRM4CHRM1CHRM2CHRM5 | |
| SCHEMBL14965830 | 0.91 | AVPR1B (0.36) | MCHR1HDAC4HDAC6HDAC1AVPR1B | |
| SCHEMBL14965574 | 0.90 | HDAC4 (0.36) | MCHR1HDAC4HDAC6HDAC1 | |
| SCHEMBL14969415 | 0.88 | HRH3 (0.42) | MCHR1HDAC6HDAC1CHRM2 | |
| SCHEMBL14965563 | 0.88 | MCHR1 (0.42) | MCHR1CHRM4CHRM1CHRM2CHRM5 | |
| SCHEMBL14966213 | 0.88 | HDAC4 (0.37) | HDAC4HDAC6HDAC1CYP3A4CYP2D6 | |
| SCHEMBL14969471 | 0.87 | KDM4E (0.41) | DYRK1AGSK3BAVPR1BSMN1; SMN2WNT1 | |
| SCHEMBL14965766 | 0.86 | CHRM4 (0.43) | MCHR1CHRM4CHRM1CHRM2CHRM5 | |
| SCHEMBL14966157 | 0.85 | AVPR1B (0.38) | MCHR1HDAC1AVPR1B |
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 |