Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965511 | 1.00 | LTA4H (0.40) | LTA4HCYP2D6CYP2C9HIF1AALDH1A1 | |
| SCHEMBL14965368 | 0.91 | KCNJ1 (0.40) | ALDH1A1MEN1KMT2AHDAC1KDM4E | |
| SCHEMBL14966243 | 0.90 | TNIK (0.45) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL14965672 | 0.89 | DRD4 (0.47) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL14971108 | 0.89 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2LMNAMAPT | |
| SCHEMBL14965896 | 0.88 | SUCNR1 (0.40) | ALDH1A1MEN1KMT2AHDAC1LMNA | |
| SCHEMBL14971109 | 0.88 | TP53 (0.40) | ALDH1A1MAPK1SMN1; SMN2LMNAMAPT | |
| SCHEMBL14965407 | 0.88 | KCNJ1 (0.42) | ALDH1A1MEN1KMT2AKDM4EMAPK1 | |
| SCHEMBL14969471 | 0.88 | KDM4E (0.41) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL14965684 | 0.88 | CHKA (0.45) | ALDH1A1MEN1KMT2AMAPK1SMN1; 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 |