Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL8850413 | 0.75 | TP53 (0.53) | TP53SLC7A5PTGS2 | |
| SCHEMBL17767389 | 0.74 | TP53 (0.61) | TP53SLC7A5CYP1A2CYP2C19 | |
| SCHEMBL2774033 | 0.74 | TP53 (0.61) | TP53SLC7A5CYP1A2CYP2C19 | |
| Hydrogen Peroxide SCHEMBL28852493 | 0.74 | — | — | |
| SCHEMBL4640114 | 0.74 | TP53 (0.61) | TP53SLC7A5CYP1A2CYP2C19 | |
| SCHEMBL405938 | 0.74 | TP53 (0.61) | TP53SLC7A5CYP1A2CYP2C19 | |
| SCHEMBL5940223 | 0.74 | TP53 (0.61) | TP53SLC7A5CYP1A2CYP2C19 | |
| SCHEMBL2531259 | 0.74 | TP53 (0.61) | TP53SLC7A5CYP1A2CYP2C19 | |
| SCHEMBL10857351 | 0.74 | — | — | |
| SCHEMBL17767367 | 0.74 | TP53 (0.61) | TP53SLC7A5CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0405983-A2 | Optically active substance and liquid crystal composition | MITSUBISHI RAYON CO., LTD (JP) | 1991-01-02 | — | — | EP | disclosed |