Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 5/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | FBP1 | P09467 | 9/20 | 0.48 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5918766 | 0.78 | PPARA (0.64) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL5857326 | 0.77 | CA12 (0.47) | CYP1A2TSHRPOLBALDH1A1 | |
| SCHEMBL8794052 | 0.77 | PPARA (0.71) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL30536267 | 0.77 | KIF11 (0.43) | HTR2AALDH1A1 | |
| SCHEMBL5918719 | 0.76 | PPARA (0.66) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL7984534 | 0.76 | PPARA (0.66) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL4811489 | 0.75 | PPARA (0.68) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| Ethane SCHEMBL6828991 | 0.75 | PPARA (0.64) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL7977777 | 0.74 | PPARA (0.68) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL1417870 | 0.74 | PPARA (0.71) | PPARAABCB11CYP1A2CYP3A4TSHR |
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-116199599-B | Method for preparing aryl nitrile compound | 江苏师范大学 | 2024-11-15 | — | — | CN | disclosed |
| CN-116199599-A | Method for preparing aryl nitrile compound | 江苏师范大学 | 2023-06-02 | — | — | CN | disclosed |