Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.34 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13869046 | 0.81 | CA2 (0.41) | PPARATSHREPHX2PPARGNR1H4 | |
| SCHEMBL3532868 | 0.81 | TTR (0.48) | TSHR | |
| SCHEMBL13748165 | 0.80 | ADRB3 (0.44) | PPARAEPHX2GRIN1GRIN2BHPGD | |
| SCHEMBL13719497 | 0.77 | EPHX2 (0.40) | EPHX2GRIN1GRIN2BPPARGNR1H4 | |
| SCHEMBL14038485 | 0.76 | ALDH1A1 (0.47) | TSHREPHX2GRIN1GRIN2BHPGD | |
| SCHEMBL14960121 | 0.74 | ACLY (0.44) | TSHRHPGDALDH1A1SMN1; SMN2PTGS2 | |
| SCHEMBL28277550 | 0.74 | PPARA (0.47) | PPARATSHRPPARGHPGDCYP3A4 | |
| SCHEMBL23979141 | 0.72 | CYP3A4 (0.47) | PPARATSHRPPARGCYP3A4SMN1; SMN2 | |
| SCHEMBL13996133 | 0.72 | FFAR4 (0.42) | TSHRHPGDALDH1A1 | |
| SCHEMBL6808373 | 0.72 | TTR (0.56) | PPARATSHRPPARGRECQLCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| US-7452992-B2 | inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole | SMITHKLINE BEECHAM CORPORATION (US) | 2008-11-18 | — | — | US | disclosed |