Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 7/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | HTR2A | P28223 | 2/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28882728 | 0.99 | PPARA (0.63) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL28102603 | 0.96 | PPARA (0.67) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL12573598 | 0.92 | PPARA (0.60) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL28102713 | 0.90 | PPARA (0.70) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| Simfibrate SCHEMBL27667 | 0.90 | PPARA (0.74) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL30231731 | 0.87 | PPARA (0.75) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL12573938 | 0.84 | PPARA (0.63) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL12573937 | 0.84 | PPARA (0.66) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL2615467 | 0.83 | PPARA (0.65) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL12573939 | 0.83 | PPARA (0.61) | 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-106045989-A | Preparation method and application of 9-substituted dual functional group berberine derivative | 合肥华方医药科技有限公司 | 2016-10-26 | — | — | CN | disclosed |