Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 9/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 5/20 | 0.37 |
| ▸ | PPARG | P37231 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | FABP2 | P12104 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3090302 | 0.74 | PPARA (0.53) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL3091124 | 0.72 | PPARA (0.50) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL3090307 | 0.72 | PPARA (0.52) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL28954939 | 0.71 | CYP1A2 (0.52) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL3091128 | 0.68 | PPARA (0.50) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| Etofibrate SCHEMBL3122 | 0.67 | L3MBTL1 (0.55) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| Etofibrate SCHEMBL8168409 | 0.67 | L3MBTL1 (0.55) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| Etofibrate SCHEMBL29801484 | 0.67 | L3MBTL1 (0.55) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| Etofibrate SCHEMBL1649349 | 0.67 | L3MBTL1 (0.54) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| Simfibrate SCHEMBL27667 | 0.66 | PPARA (0.74) | PPARACYP1A2CYP3A4ABCB11TSHR |
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-115710219-A | Method for preparing meta cyano-substituted pyridine compound | 南开大学 | 2023-02-24 | — | — | CN | disclosed |