Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965370 | 0.88 | ALDH1A1 (0.44) | HDAC1HDAC6ALDH1A1KMT2AMEN1 | |
| SCHEMBL14965902 | 0.88 | KDM4E (0.53) | MCHR1HDAC1ALDH1A1KMT2AMEN1 | |
| SCHEMBL14966181 | 0.86 | KDM4E (0.56) | MCHR1ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL14965800 | 0.86 | ALDH1A1 (0.58) | MCHR1HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL14966204 | 0.86 | SLC2A1 (0.42) | MCHR1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL14965766 | 0.86 | CHRM4 (0.43) | MCHR1KCNH2HTR4 | |
| SCHEMBL14966186 | 0.85 | ALDH1A1 (0.48) | HDAC4HDAC6ALDH1A1KMT2AMEN1 | |
| SCHEMBL14965322 | 0.85 | KMT2A (0.45) | ALDH1A1KMT2AMEN1LMNAKDM4E | |
| SCHEMBL14966188 | 0.85 | KDM4E (0.50) | MCHR1HDAC1ALDH1A1KMT2AMEN1 | |
| SCHEMBL14965407 | 0.84 | KCNJ1 (0.42) | ALDH1A1KMT2AMEN1LMNAKDM4E |
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 |