Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30785796 | 0.85 | HPGD (0.39) | PARP1MAOBTP53CA1CA2 | |
| SCHEMBL20152958 | 0.85 | HPGD (0.39) | PARP1MAOBTP53CA1CA2 | |
| SCHEMBL20152929 | 0.77 | PDE7A (0.35) | PARP1MAOBTP53KDM4EMAPT | |
| SCHEMBL20152959 | 0.75 | COMT (0.39) | MAOAMAOBTP53NPC1RAB9A | |
| SCHEMBL5445273 | 0.66 | PRCP (0.53) | HDAC1HDAC6 | |
| SCHEMBL10788448 | 0.65 | BACE1 (0.50) | HDAC6MAOAMAOBKDM4EMAPT | |
| SCHEMBL12425210 | 0.64 | BACE1 (0.45) | PDE4BPDE4APDE4CPDE4DTP53 | |
| SCHEMBL98063 | 0.64 | KDM4E (0.41) | HDAC1HDAC6MAOAMAOBPDE4B | |
| SCHEMBL13999136 | 0.64 | ESR1 (0.40) | MAOAMAOBTP53TSHRALDH1A1 | |
| SCHEMBL21638050 | 0.63 | TDO2 (0.47) | MAOAMAOBPDE4BPDE4APDE4C |
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 |