Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL168484 | 0.81 | GAA (0.37) | CYP1A2HTTCYP2C19ALDH1A1MEN1 | |
| SCHEMBL18418866 | 0.68 | CHEK1 (0.40) | CYP1A2HTTCYP2C19ALDH1A1MEN1 | |
| SCHEMBL31074506 | 0.67 | GAA (0.46) | CYP1A2HTTCYP2C19ALDH1A1MEN1 | |
| SCHEMBL20150222 | 0.66 | GAA (0.36) | CYP1A2HTTCYP2C19ALDH1A1MEN1 | |
| SCHEMBL28394145 | 0.66 | DGAT1 (0.35) | KMT2ALMNA | |
| SCHEMBL21198513 | 0.66 | ALDH1A1 (0.47) | HTTALDH1A1MEN1KMT2AGAA | |
| SCHEMBL21198823 | 0.66 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AMITFLMNA | |
| SCHEMBL23910452 | 0.65 | POLB (0.39) | ALDH1A1POLBLMNAMAPT | |
| SCHEMBL174551 | 0.65 | GAA (0.35) | CYP1A2HTTCYP2C19ALDH1A1MEN1 | |
| SCHEMBL28562263 | 0.65 | NPC1 (0.33) | ALDH1A1MEN1KMT2AGAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-110590670-B | 1,2-bis (3,5-dinitropyrazolyl) ethane compound and synthetic method thereof | 西安近代化学研究所 | 2023-03-17 | — | — | CN | disclosed |
| CN-110590670-A | 1, 2-bis (3, 5-dinitropyrazolyl) ethane compound and synthetic method thereof | 西安近代化学研究所 | 2019-12-20 | — | — | CN | disclosed |