Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL20152972 | 0.69 | COMT (0.35) | BACE1CA12CA9MAOAMAOB | |
| SCHEMBL20152963 | 0.68 | USP7 (0.34) | BACE1 | |
| SCHEMBL8229996 | 0.67 | JAK1 (0.47) | ESR1ESR2CA12CA9MIF | |
| SCHEMBL20153022 | 0.67 | HSD17B1 (0.43) | BACE1ESR1ESR2CA12CA9 | |
| SCHEMBL21126348 | 0.66 | GYS1 (0.36) | ESR1ESR2CA12CA9 | |
| SCHEMBL6067975 | 0.64 | ALOX5 (0.61) | BACE1ESR1ESR2CA12CA9 | |
| SCHEMBL22500139 | 0.64 | AMY1A (0.56) | BACE1ESR1ESR2MAOB | |
| SCHEMBL10619548 | 0.64 | ESR2 (0.37) | BACE1ESR1ESR2CA12CA9 | |
| SCHEMBL10621853 | 0.64 | ESR2 (0.37) | BACE1ESR1ESR2CA12CA9 | |
| SCHEMBL10619397 | 0.64 | ESR2 (0.37) | BACE1ESR1ESR2CA12CA9 |
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 |