Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitramine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Nitramine SCHEMBL11333778 | 1.00 | KMT2A (0.54) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL57161 | 0.94 | KMT2A (0.54) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL28246776 | 0.93 | KMT2A (0.53) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL28196454 | 0.93 | KMT2A (0.53) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL22069954 | 0.93 | KMT2A (0.53) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL11697129 | 0.93 | KMT2A (0.53) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL6131363 | 0.93 | KMT2A (0.53) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL27698408 | 0.93 | KMT2A (0.53) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL28251559 | 0.90 | KMT2A (0.51) | KMT2AHPGDMEN1NPSR1HTT | |
| Nitramine SCHEMBL27687622 | 0.90 | KMT2A (0.51) | KMT2AHPGDMEN1NPSR1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0223440-B1 | A PROCESS FOR THE PRODUCTION OF HIGH ENERGY MATERIAL | The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) | 1991-03-06 | — | — | EP | disclosed |
| US-4985584-A | RING OPENING REACTION WITH N2O4 OR N2O5 | SECRETARY OF STATE FOR DEFENCE (GB) | 1991-01-15 | — | — | US | disclosed |
| EP-0223440-A1 | A process for the production of high energy material | The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) | 1987-05-27 | — | — | EP | disclosed |