Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152924 | 0.90 | CHRNA7 (0.42) | CHRNA7ALDH1A1MAPK1 | |
| SCHEMBL28038980 | 0.82 | CES2 (0.45) | ALDH1A1 | |
| SCHEMBL27624283 | 0.81 | FFAR4 (0.41) | — | |
| SCHEMBL8100867 | 0.80 | TYR (0.68) | TYR | |
| SCHEMBL3168506 | 0.79 | CYP4F2 (0.51) | CHRNA7ALDH1A1 | |
| SCHEMBL15130521 | 0.78 | TAAR1 (0.50) | ALDH1A1MAPK1TYR | |
| SCHEMBL20152915 | 0.77 | NPSR1 (0.47) | — | |
| SCHEMBL20152943 | 0.77 | HSD17B10 (0.45) | — | |
| SCHEMBL20153030 | 0.77 | CHRNA7 (0.38) | CHRNA7TYR | |
| SCHEMBL14770069 | 0.77 | CHRNA7 (0.38) | CHRNA7TYR |
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 |