Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23014992 | 0.85 | SIGMAR1 (0.50) | CA2HTR1AADRA2ASLC6A2ADRA1A | |
| SCHEMBL19417419 | 0.85 | SIGMAR1 (0.50) | CA2HTR1AADRA2ASLC6A2ADRA1A | |
| SCHEMBL12040641 | 0.85 | SIGMAR1 (0.50) | CA2HTR1AADRA2ASLC6A2ADRA1A | |
| SCHEMBL577806 | 0.84 | CYP1A2 (0.76) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL25141717 | 0.83 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL29738636 | 0.81 | CYP1A2 (0.73) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL14702015 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19ALDH1A1ALOX15 | |
| SCHEMBL13799439 | 0.79 | IDO1 (0.48) | ALDH1A1TAAR1AOC3LMNAIDO1 | |
| SCHEMBL1709949 | 0.79 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL11446638 | 0.78 | TP53 (0.46) | CYP1A2CYP2D6CYP2C19TP53ALDH1A1 |
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-114685331-B | Process for producing 1, 2-dithioethane compound | 华南理工大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-114685331-A | Process for producing 1, 2-dithioethane compound | 华南理工大学 | 2022-07-01 | — | — | CN | disclosed |