Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 10/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9197523 | 0.88 | TSHR (0.39) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL9315018 | 0.81 | MTNR1A (0.37) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL9315793 | 0.79 | MTNR1A (0.40) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL9201839 | 0.77 | MTNR1A (0.40) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL9202054 | 0.77 | MTNR1A (0.40) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL9200230 | 0.77 | MTNR1A (0.40) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL9316757 | 0.76 | PDE4A (0.38) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL10760472 | 0.73 | MTNR1A (0.57) | PDE4APDE4BPDE4CPDE4DTSHR | |
| SCHEMBL21785030 | 0.64 | PARP1 (0.43) | GAAALDH1A1PKM | |
| SCHEMBL9197524 | 0.63 | TSHR (0.39) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5278166-A | 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1994-01-11 | — | — | US | disclosed |
| US-5214063-A | 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1993-05-25 | — | — | US | disclosed |
| US-5162364-A | Treatment of spastic and senescence disorders | ADIR ET COMPAGNIE (FR) | 1992-11-10 | — | — | US | disclosed |