Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.34 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153001 | 0.89 | BACE1 (0.41) | BACE1ALOX5LTB4RLTB4R2ALDH1A1 | |
| SCHEMBL20152940 | 0.85 | LTB4R (0.39) | ESR2THRBLTB4RLTB4R2HPGD | |
| SCHEMBL20152874 | 0.81 | ESR2 (0.48) | BACE1ESR2PDE4BPDE4APDE4C | |
| SCHEMBL20152917 | 0.78 | ESR2 (0.46) | BACE1ESR2PDE4BPDE4APDE4C | |
| SCHEMBL20152941 | 0.75 | NPSR1 (0.47) | BACE1ESR2ALOX5LTB4RLTB4R2 | |
| SCHEMBL20153024 | 0.72 | ESR2 (0.40) | BACE1ESR2ALOX5ALDH1A1HSD17B10 | |
| SCHEMBL4279291 | 0.70 | BACE1 (0.68) | BACE1ESR2PDE4BPDE4APDE4C | |
| SCHEMBL22888341 | 0.69 | BACE1 (0.65) | BACE1ESR2PDE4BPDE4APDE4C | |
| SCHEMBL9066203 | 0.68 | BACE1 (0.64) | BACE1ESR2PDE4BPDE4APDE4C | |
| SCHEMBL20152897 | 0.66 | ESR1 (0.33) | BACE1ESR2ALDH1A1 |
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 |