Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.47 |
| ▸ | PDE4A | P27815 | 2/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4864133 | 0.75 | PDE4B (0.52) | PDE4BPDE4APDE4CPDE4DPDE3B | |
| SCHEMBL3775165 | 0.74 | PDE4B (0.76) | PDE4BPDE4APDE4CPDE4DPDE3B | |
| SCHEMBL642228 | 0.70 | HDAC4 (0.58) | KDM4EALDH1A1HPGDHDAC4HDAC2 | |
| SCHEMBL22284818 | 0.68 | PDE3A (0.48) | CRBNPDE4BPDE4APDE4CPDE4D | |
| SCHEMBL5560822 | 0.68 | AXL (0.61) | PDE4BPDE4APDE4CPDE4DPDE3B | |
| SCHEMBL9879241 | 0.68 | MEN1 (0.50) | PDE4BPDE4APDE4CPDE4DPDE3B | |
| SCHEMBL9878571 | 0.66 | AXL (0.58) | PDE3BPDE3AKDM4EALDH1A1HPGD | |
| SCHEMBL6283678 | 0.66 | HDAC4 (0.44) | CRBNKDM4EALDH1A1HPGDHDAC4 | |
| SCHEMBL30701949 | 0.65 | CA9 (0.50) | KDM4EALDH1A1HPGDCYP3A4ACHE | |
| SCHEMBL3674074 | 0.65 | CA9 (0.50) | KDM4EALDH1A1HPGDCYP3A4ACHE |
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-2003011287-A1 | PYRAZOLON DERIVATIVES AS INHIBITORS OF GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-02-13 | — | — | WO | disclosed |