Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CCR10 | P46092 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16800250 | 0.90 | KMT2A (0.51) | KMT2AKDM4ECYP2D6GAAALDH1A1 | |
| SCHEMBL14199604 | 0.79 | KMT2A (0.63) | KMT2AKDM4ECYP2D6ALDH1A1MEN1 | |
| SCHEMBL16367292 | 0.79 | KMT2A (0.54) | KMT2AKDM4ECYP2D6GAAALDH1A1 | |
| SCHEMBL14199602 | 0.77 | KMT2A (0.57) | KMT2AKDM4ECYP2D6CCR10CA12 | |
| SCHEMBL14199615 | 0.75 | KMT2A (0.55) | KMT2AKDM4ECYP2D6MEN1CCR10 | |
| SCHEMBL11352268 | 0.75 | KMT2A (0.64) | KMT2ACYP2D6MEN1CA12CA1 | |
| SCHEMBL14199621 | 0.75 | KMT2A (0.40) | KMT2AGAAALDH1A1POLBMEN1 | |
| SCHEMBL14199611 | 0.74 | KMT2A (0.54) | KMT2AKDM4ECYP2D6GAAMEN1 | |
| SCHEMBL16367296 | 0.74 | KMT2A (0.47) | KMT2ACYP2D6GAAALDH1A1CCR10 | |
| Pimonidazole SCHEMBL51977 | 0.74 | KMT2A (0.63) | KMT2ACYP2D6MEN1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9056136-B2 | Weakly basic 2-nitroimidazoles for the non-invasive detection of tissue hypoxia | NATURAL PHARMACIA INTERNATIONAL, INC. (US) | 2015-06-16 | — | — | US | disclosed |
| US-9056136-B2 | Weakly basic 2-nitroimidazoles for the non-invasive detection of tissue hypoxia | NATURAL PHARMACIA INTERNATIONAL, INC. (US) | 2015-06-16 | — | — | US | disclosed |