Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | PPARA | Q07869 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2916136 | 0.80 | TSHR (0.58) | CYP1A2PPARACYP3A4ABCB11TSHR | |
| Clofibrate SCHEMBL11180679 | 0.72 | PPARA (0.97) | CYP1A2PPARACYP3A4ABCB11TSHR | |
| SCHEMBL30280775 | 0.71 | PPARA (0.42) | CYP1A2PPARACYP3A4ABCB11TSHR | |
| Clofibrate SCHEMBL3953607 | 0.71 | PPARA (1.00) | CYP1A2PPARACYP3A4ABCB11TSHR | |
| Clofibrate SCHEMBL2356 | 0.71 | PPARA (1.00) | CYP1A2PPARACYP3A4ABCB11TSHR | |
| SCHEMBL4692295 | 0.70 | PPARA (0.66) | CYP1A2PPARACYP3A4ABCB11TSHR | |
| SCHEMBL16166523 | 0.70 | KDM4E (0.55) | TSHRALDH1A1POLBSMN1; SMN2MAPT | |
| Clofibrate SCHEMBL3345 | 0.70 | PPARA (0.97) | CYP1A2PPARACYP3A4ABCB11TSHR | |
| Clofibrate SCHEMBL11187010 | 0.70 | PPARA (0.97) | CYP1A2PPARACYP3A4ABCB11TSHR | |
| Clofibrate SCHEMBL11184809 | 0.70 | PPARA (0.97) | CYP1A2PPARACYP3A4ABCB11TSHR |
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 |