Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CGAS | Q8N884 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28267128 | 0.88 | CGAS (0.41) | CGASALDH1A1KDM4ELMNATSHR | |
| SCHEMBL28510109 | 0.86 | CGAS (0.33) | CGASALDH1A1KDM4EHPGDTSHR | |
| Water SCHEMBL2448609 | 0.82 | CGAS (0.44) | CGASALDH1A1KDM4EHSD17B10LMNA | |
| Water SCHEMBL6788837 | 0.82 | CGAS (0.44) | CGASALDH1A1KDM4EHSD17B10LMNA | |
| Sulfuric Acid SCHEMBL28267131 | 0.78 | HSD17B10 (0.47) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL28267129 | 0.75 | HSD17B10 (0.36) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL28838437 | 0.73 | ALDH1A1 (0.33) | ALDH1A1KDM4EGAA | |
| Amitrole SCHEMBL10324209 | 0.73 | CGAS (0.39) | CGASALDH1A1KDM4ELMNACYP1A2 | |
| SCHEMBL368898 | 0.73 | HSD17B10 (0.53) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL28510110 | 0.71 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109096215-B | Nitrogen-rich energetic material 3-amino-3 '-nitro-amino-5, 5' -bi-1, 2, 4-triazole and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2021-01-26 | — | — | CN | disclosed |