Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13367148 | 1.00 | CYP1A2 (0.33) | CYP1A2TSHRALDH1A1TRPA1ACHE | |
| SCHEMBL10752183 | 0.85 | CYP1A2 (0.32) | CYP1A2TSHR | |
| SCHEMBL1072053 | 0.81 | CYP2A6 (0.43) | CYP1A2TSHRALDH1A1TRPA1ACHE | |
| SCHEMBL2258690 | 0.78 | HAAO (0.40) | CYP1A2ALDH1A1 | |
| SCHEMBL15352385 | 0.77 | ACHE (0.32) | ACHE | |
| SCHEMBL4161396 | 0.75 | NQO1 (0.35) | ALDH1A1 | |
| SCHEMBL1230326 | 0.74 | TSHR (0.54) | CYP1A2TSHRALDH1A1 | |
| SCHEMBL1690405 | 0.74 | — | — | |
| SCHEMBL4868173 | 0.74 | L3MBTL1 (0.38) | CYP1A2ALDH1A1ACHE | |
| SCHEMBL6217138 | 0.73 | ALDH1A1 (0.50) | CYP1A2TSHRALDH1A1TRPA1ACHE |
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-115991624-A | Method for producing tetratoluene | 中国石油化工股份有限公司 | 2023-04-21 | — | — | CN | disclosed |