Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 4/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3123114 | 1.00 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL3123099 | 1.00 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL3117803 | 0.86 | PDE4A (0.33) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL3113037 | 0.86 | PDE4A (0.33) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL3113044 | 0.86 | PDE4A (0.33) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL3114190 | 0.84 | TSHR (0.33) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL3114195 | 0.84 | TSHR (0.33) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL3117336 | 0.84 | TSHR (0.33) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL523099 | 0.84 | SMN1; SMN2 (0.34) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL3114193 | 0.84 | TSHR (0.33) | PDE4APDE4BPDE4CPDE4DTSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101862317-A | The pregabalin derivant that is used for the treatment of fibromyalgia and other disease | WARNER LAMBERT CO | 2010-10-20 | — | — | CN | disclosed |
| CN-1310872-C | Mono- and disubstituted 3-propyl gamma-aminobutyric acids | WARNER LAMBERT CO (US) | 2007-04-18 | — | — | CN | disclosed |
| CN-1726023-A | Pregabalin derivatives for the treatment of fibromyalgia and other diseases | WARNER LAMBERT CO (US) | 2006-01-25 | — | — | CN | disclosed |
| CN-1660779-A | Mono- and disubstituted 3-propyl gamma-aminobutyric acids | WARNER LAMBERT CO (US) | 2005-08-31 | — | — | CN | disclosed |
| CN-1625393-A | Alpha 2 delta ligands to treat tinnitus | WARNER LAMBERT CO (US) | 2005-06-08 | — | — | CN | disclosed |
| CN-1196671-C | Mono-and disubstituted 3-propyl-gamma-aminobutyric acids | WARNER LAMBERT CO (US) | 2005-04-13 | — | — | CN | disclosed |
| CN-1355784-A | Mono-and disubstituted 3-propyl-gamma-aminobutyric acids | WARNER LAMBERT CO (US) | 2002-06-26 | — | — | CN | disclosed |