Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 5/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | PDE8B | O95263 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | PDE1A | P54750 | 1/20 | 0.42 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.42 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152956 | 0.85 | PDE4A (0.38) | PDE4DCYP2C19PDE4APDE4BPDE4C | |
| SCHEMBL20153014 | 0.82 | MEN1 (0.38) | HTR2BKMT2ATSHRALDH1A1 | |
| SCHEMBL20152954 | 0.82 | HSD17B10 (0.39) | CYP2C19HTR2BMAPTKMT2ATSHR | |
| SCHEMBL20152973 | 0.81 | HTR2C (0.42) | WDR5CETP | |
| SCHEMBL20153027 | 0.72 | MEN1 (0.36) | MAPTKMT2AALDH1A1 | |
| SCHEMBL20152971 | 0.68 | CA3 (0.39) | HTR2BKMT2ATSHR | |
| SCHEMBL20152962 | 0.68 | TP53 (0.39) | HTR2BDRD1MAPTKMT2AADRA1A | |
| SCHEMBL13616713 | 0.67 | ADRA1A (0.50) | ADRA1A | |
| SCHEMBL20153038 | 0.66 | HTR2A (0.36) | HTR2B | |
| SCHEMBL363972 | 0.66 | MAOB (0.61) | KMT2ATSHRALDH1A1 |
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 |