Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.48 |
| ▸ | TYR | P14679 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | F3 | P13726 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 4/20 | 0.48 |
| ▸ | MGAM | O43451 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SI | P14410 | 2/20 | 0.47 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.47 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19241050 | 0.85 | MIF (0.77) | MIFCYP2C9HSD11B1TYRCYP2D6 | |
| SCHEMBL1646644 | 0.79 | BACE1 (0.76) | BACE1 | |
| SCHEMBL1646643 | 0.79 | BACE1 (0.76) | BACE1 | |
| SCHEMBL20152955 | 0.77 | BACE1 (0.54) | CYP2C9HSD11B1TYRCYP2D6F3 | |
| SCHEMBL20152982 | 0.77 | CYP2C9 (0.49) | MIFCYP2C9HSD11B1TYRCYP2D6 | |
| SCHEMBL4653698 | 0.76 | CHRNA7 (0.68) | TYRBACE1MGAMGAASI | |
| SCHEMBL4653701 | 0.76 | CHRNA7 (0.68) | TYRBACE1MGAMGAASI | |
| SCHEMBL1647149 | 0.75 | ERN1 (0.52) | MIFGAAALDH1A1MAPTKDM4E | |
| SCHEMBL10021688 | 0.74 | MMP1 (0.59) | CYP2C9CYP2D6F3JUNNFKB1 | |
| SCHEMBL28940557 | 0.74 | NFE2L2 (0.70) | CYP2C9HSD11B1TYRCYP2D6F3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |