Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21765673 | 0.73 | CHRNB2 (0.43) | KDM4EMEN1USP2ALDH1A1LMNA | |
| SCHEMBL25517550 | 0.72 | CHRNB2 (0.45) | KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL21283229 | 0.72 | — | — | |
| Nibrozetone SCHEMBL2249018 | 0.68 | NLRP3 (0.47) | NLRP3KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL9918122 | 0.65 | APEX1 (0.46) | NLRP3ALDH1A1 | |
| SCHEMBL11581015 | 0.65 | KDM4E (0.42) | KDM4EMEN1USP2ALDH1A1LMNA | |
| SCHEMBL20695413 | 0.64 | NR1H2 (0.49) | KDM4EMEN1USP2ALDH1A1LMNA | |
| SCHEMBL30674690 | 0.64 | HTT (0.30) | — | |
| SCHEMBL9921593 | 0.63 | NLRP3 (0.35) | NLRP3 | |
| SCHEMBL20129907 | 0.61 | — | — |
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-2022266365-A1 | ORGANONITRO AND SULFOXYALKYL ORGANONITRO COMPOUNDS FOR USE IN TREATING MEDICAL DISORDERS | EPICENTRX, INC. (US) | 2022-12-22 | — | — | WO | disclosed |
| EP-2534131-B1 | METHODS OF SYNTHESIZING AND ISOLATING N-(BROMOACETYL)-3,3-DINITROAZETIDINE AND A COMPOSITION INCLUDING THE SAME | ALLIANT TECHSYSTEMS INC (US) | 2014-03-19 | — | — | EP | disclosed |
| US-8471041-B2 | Methods of synthesizing and isolating N-(bromoacetyl)-3,3-dinitroazetidine and a composition including the same | ALLIANT TECHSYSTEMS INC. (US) | 2013-06-25 | — | — | US | disclosed |