Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 8/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1787822 | 0.94 | EPHX1 (0.41) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL27746258 | 0.94 | EPHX1 (0.41) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL27716512 | 0.91 | PKM (0.36) | PKM | |
| SCHEMBL14657580 | 0.82 | DPP4 (0.37) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL14738908 | 0.81 | CCR2 (0.32) | EPHX1EPHX2 | |
| SCHEMBL27990542 | 0.79 | BTK (0.41) | EPHX1PDK1PDK2PDK3PDK4 | |
| SCHEMBL7291838 | 0.78 | EPHX2 (0.32) | EPHX2 | |
| SCHEMBL17141007 | 0.78 | THRB (0.32) | — | |
| SCHEMBL2225425 | 0.77 | — | — | |
| SCHEMBL4114063 | 0.76 | PDK1 (0.36) | EPHX1PDK1PDK2PDK3PDK4 |
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-113396150-A | Tricyclic JANUS kinase 1 inhibitors, compositions and methods thereof | 凌科药业(杭州)有限公司 | 2021-09-14 | — | — | CN | disclosed |