Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1B | P47901 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.34 |
| ▸ | MELK | Q14680 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MLLT1 | Q03111 | 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 | |
|---|---|---|---|---|
| SCHEMBL14966157 | 0.94 | AVPR1B (0.38) | AVPR1BHDAC1MCHR1MELKCDK6 | |
| SCHEMBL14965741 | 0.91 | MCHR1 (0.42) | AVPR1BHDAC4HDAC6HDAC1MCHR1 | |
| SCHEMBL14965597 | 0.91 | MTOR (0.39) | MCHR1METMELKMAPK1CDK6 | |
| SCHEMBL14965574 | 0.90 | HDAC4 (0.36) | HDAC4HDAC6HDAC1MCHR1MET | |
| SCHEMBL14965805 | 0.90 | DHODH (0.36) | MCHR1METMELK | |
| SCHEMBL14965487 | 0.89 | FGFR1 (0.39) | MCHR1METMAPK1 | |
| SCHEMBL14965509 | 0.89 | FGFR1 (0.42) | MCHR1METMAPK1 | |
| SCHEMBL14965652 | 0.88 | GPR119 (0.38) | MCHR1METMELKMAPK1BDKRB1 | |
| SCHEMBL14965820 | 0.88 | JAK2 (0.37) | MET | |
| SCHEMBL14966213 | 0.86 | HDAC4 (0.37) | AVPR1BHDAC4HDAC6HDAC1MET |
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 |