Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | SORD | Q00796 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965789 | 0.87 | CYP1A2 (0.40) | LMNACYP1A2CYP2C9POLBALDH1A1 | |
| SCHEMBL14965943 | 0.87 | GBA1 (0.40) | GBA1KCNH2LMNACYP1A2CYP2C9 | |
| SCHEMBL14965984 | 0.86 | MAPT (0.42) | GBA1LMNACYP1A2CYP2C9SORD | |
| SCHEMBL14965857 | 0.81 | ENPP2 (0.36) | TRPV1LMNACYP1A2CYP2C9POLB | |
| SCHEMBL14965617 | 0.81 | TRPV1 (0.45) | KCNH2TRPV1CYP1A2CYP2C9SORD | |
| SCHEMBL14965723 | 0.80 | AOC3 (0.39) | POLBALDH1A1MAPTL3MBTL1 | |
| SCHEMBL14965834 | 0.76 | OGA (0.49) | ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL14971157 | 0.76 | PIK3CA (0.43) | LMNAALDH1A1HPGDMAPTL3MBTL1 | |
| SCHEMBL14965871 | 0.75 | ALDH1A1 (0.42) | LMNAPOLBALDH1A1MAPTL3MBTL1 | |
| SCHEMBL14965636 | 0.72 | HRH4 (0.47) | ALDH1A1 |
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 |