Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965999 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4ELMNAMAPTCHRM1 | |
| SCHEMBL14965813 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNACYP1A2CYP2C19 | |
| SCHEMBL14965974 | 0.82 | FAAH (0.41) | KCNH2ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL14965894 | 0.82 | HIF1A (0.41) | KCNH2CHRM1 | |
| SCHEMBL14965673 | 0.82 | MCHR1 (0.36) | KCNH2ALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL14966128 | 0.82 | ALDH1A1 (0.38) | KCNH2ALDH1A1LMNAMAPTCHRM1 | |
| SCHEMBL14965410 | 0.81 | DRD2 (0.38) | KCNH2ALDH1A1KDM4EDRD4POLB | |
| SCHEMBL14965821 | 0.80 | ALDH1A1 (0.33) | KCNH2ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL14965699 | 0.80 | SMN1; SMN2 (0.43) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL14965623 | 0.79 | CYP2A13 (0.48) | ALDH1A1KDM4ELMNATSHRPOLB |
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 |