Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.53 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | TNF | P01375 | 1/20 | 0.50 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.50 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.48 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.46 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.46 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965959 | 1.00 | KCNH2 (0.53) | KCNH2ABL1CHRM1TNFNOD2 | |
| SCHEMBL14966248 | 0.92 | HIF1A (0.51) | KCNH2ABL1CHRM1TNFNOD2 | |
| SCHEMBL14965916 | 0.91 | ABL1 (0.56) | KCNH2ABL1CHRM1TNFNOD2 | |
| SCHEMBL14966152 | 0.91 | ALDH1A1 (0.51) | KCNH2ABL1CHRM1TNFNOD2 | |
| SCHEMBL14965737 | 0.91 | CHRM1 (0.49) | KCNH2ABL1CHRM1ALDH1A1TSHR | |
| SCHEMBL14965587 | 0.90 | HIF1A (0.60) | HIF1AEPAS1RAB9ANPC1MEN1 | |
| SCHEMBL14965842 | 0.89 | CHRM1 (0.59) | KCNH2ABL1CHRM1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14965982 | 0.89 | HIF1A (0.47) | HIF1AEPAS1CACNA1BAPBA1SAE1 | |
| SCHEMBL14965794 | 0.89 | NPC1 (0.59) | TNFNOD2NOD1HIF1AEPAS1 | |
| SCHEMBL14966083 | 0.87 | CHRM1 (0.52) | KCNH2ABL1CHRM1HIF1AEPAS1 |
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 2 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 | disclosed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |