Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP4 | P49662 | 1/20 | 0.33 |
| ▸ | CASP5 | P51878 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14971108 | 0.88 | ALDH1A1 (0.44) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14965513 | 0.87 | LSS (0.46) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14966198 | 0.85 | KCNJ1 (0.40) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14965986 | 0.84 | KCNJ1 (0.41) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14966106 | 0.84 | SMN1; SMN2 (0.46) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14965750 | 0.84 | CHKA (0.43) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14965368 | 0.84 | KCNJ1 (0.40) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14965918 | 0.84 | ALDH1A1 (0.37) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14971065 | 0.83 | SLC2A1 (0.41) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL14965488 | 0.83 | ALDH1A1 (0.40) | ALDH1A1KCNJ1LMNAMAPTSMN1; SMN2 |
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 |