Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| Thianthrene SCHEMBL27837235 | 0.97 | ALDH1A1 (0.56) | ALDH1A1MAOACYP1A2CYP3A4TDP1 | |
| Benzene SCHEMBL28256335 | 0.89 | BCHE (0.53) | ALDH1A1MAOACYP1A2CYP3A4TDP1 | |
| SCHEMBL21629348 | 0.86 | BCHE (0.56) | ALDH1A1MAOACYP1A2CYP3A4TDP1 | |
| Thianthrene SCHEMBL29392368 | 0.86 | BCHE (0.56) | ALDH1A1MAOACYP1A2CYP3A4TDP1 | |
| Thianthrene SCHEMBL7786 | 0.86 | BCHE (0.56) | ALDH1A1MAOACYP1A2CYP3A4TDP1 | |
| SCHEMBL25643861 | 0.86 | BCHE (0.56) | ALDH1A1MAOACYP1A2CYP3A4TDP1 | |
| SCHEMBL30823 | 0.86 | — | — | |
| Thianthrene SCHEMBL8071394 | 0.82 | BCHE (0.53) | ALDH1A1MAOACYP1A2CYP3A4TDP1 | |
| SCHEMBL9329477 | 0.82 | — | — | |
| Thianthrene SCHEMBL30716835 | 0.82 | BCHE (0.53) | ALDH1A1MAOACYP1A2CYP3A4TDP1 |
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-119241326-A | Method for preparing deuterated aromatic hydrocarbon by catalyzing arylthianthrene salt through visible light | 郑州大学 | 2025-01-03 | — | — | CN | disclosed |