Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13719531 | 0.85 | CA2 (0.47) | FABP4BRAF | |
| SCHEMBL13687178 | 0.83 | MAP2K4 (0.42) | FABP4MAP2K4MAPTBRAF | |
| SCHEMBL3529771 | 0.83 | FABP4 (0.53) | FABP4MAP2K4MAPTBRAF | |
| SCHEMBL26401518 | 0.81 | MAP2K4 (0.43) | FABP4MAP2K4MAPTBRAF | |
| SCHEMBL3526302 | 0.80 | KDM4E (0.47) | FABP4MAP2K4MAPTBRAF | |
| SCHEMBL13687251 | 0.80 | BRAF (0.43) | FABP4MAP2K4MAPTBRAF | |
| SCHEMBL13747696 | 0.79 | BRAF (0.42) | FABP4MAP2K4BRAF | |
| SCHEMBL13687086 | 0.79 | MAP2K4 (0.40) | FABP4MAP2K4TRPV1 | |
| SCHEMBL13687198 | 0.77 | BRAF (0.46) | BRAF | |
| SCHEMBL13719801 | 0.76 | TRPV1 (0.46) | TRPV1 |
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 5 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-7531661-B2 | Indane compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-12 | — | — | 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 |
| 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 |
| US-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |