Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | F3 | P13726 | 1/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 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 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | GSR | P00390 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152957 | 0.85 | BACE1 (0.51) | BACE1ABCG2CYP2C9TTRMAPT | |
| SCHEMBL20152932 | 0.77 | MIF (0.56) | BACE1CYP2C9CYP2D6F3TYR | |
| SCHEMBL20152982 | 0.77 | CYP2C9 (0.49) | BACE1CYP2C9CYP2D6F3TYR | |
| SCHEMBL4653701 | 0.76 | CHRNA7 (0.68) | BACE1TTRTYRMGAMGAA | |
| SCHEMBL4653698 | 0.76 | CHRNA7 (0.68) | BACE1TTRTYRMGAMGAA | |
| SCHEMBL28610317 | 0.76 | TTR (0.52) | BACE1ABCG2CYP2C9TTRMAPT | |
| SCHEMBL1124809 | 0.75 | HSD17B10 (0.52) | BACE1ABCG2TTRTYRGAA | |
| SCHEMBL31553473 | 0.74 | GSR (0.79) | ABCG2CYP2C9CYP2D6HSD11B1MAPT | |
| SCHEMBL30468232 | 0.74 | GSR (0.79) | ABCG2CYP2C9CYP2D6HSD11B1MAPT | |
| SCHEMBL2744240 | 0.74 | GSR (0.79) | ABCG2CYP2C9CYP2D6HSD11B1MAPT |
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 |