Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | AVPR1B | P47901 | 4/20 | 0.36 |
| ▸ | AXL | P30530 | 2/20 | 0.36 |
| ▸ | MERTK | Q12866 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | WNT1 | P04628 | 4/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | CLK3 | P49761 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965741 | 0.94 | MCHR1 (0.42) | MCHR1AVPR1BCHRM1KCNH2NPC1 | |
| SCHEMBL14966157 | 0.91 | AVPR1B (0.38) | MCHR1AVPR1BAXLMERTK | |
| SCHEMBL14966019 | 0.90 | MCHR1 (0.39) | MCHR1DHODHKCNH2SLC2A1 | |
| SCHEMBL14969415 | 0.88 | HRH3 (0.42) | MCHR1MEN1ALDH1A1KMT2A | |
| SCHEMBL14965650 | 0.88 | CNR1 (0.42) | MCHR1AXLMERTKNPC1RAB9A | |
| SCHEMBL14965822 | 0.88 | FGFR1 (0.45) | MCHR1 | |
| SCHEMBL14965639 | 0.88 | AVPR1B (0.34) | AVPR1BKCNH2 | |
| SCHEMBL14969471 | 0.87 | KDM4E (0.41) | AVPR1BSMN1; SMN2WNT1DYRK1AMEN1 | |
| SCHEMBL14965662 | 0.87 | ALDH1A1 (0.38) | MCHR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14965830 | 0.85 | AVPR1B (0.36) | MCHR1AVPR1B |
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 |