Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | MTOR | P42345 | 1/20 | 0.62 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | OGA | O60502 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL24129489 | 0.90 | HRH4 (0.56) | HRH4CYP2C19CYP2C9TSHRMTOR | |
| SCHEMBL16373631 | 0.88 | HRH4 (0.58) | HRH4CYP2C19CYP2C9TSHRMTOR | |
| SCHEMBL1913121 | 0.86 | HRH3 (0.60) | HRH4CYP2C19CYP2C9TSHRMTOR | |
| SCHEMBL24128076 | 0.85 | HRH4 (0.55) | HRH4CYP2C19CYP2C9TSHRMTOR | |
| SCHEMBL16310140 | 0.83 | HRH4 (0.53) | HRH4CYP2C19CYP2C9TSHRMTOR | |
| SCHEMBL31369584 | 0.83 | HRH4 (0.49) | HRH4CYP2C19CYP2C9TSHRMTOR | |
| SCHEMBL24127755 | 0.81 | HRH4 (0.55) | HRH4CYP2C19CYP2C9TSHRMTOR | |
| SCHEMBL23686884 | 0.79 | L3MBTL1 (0.51) | HRH4CYP2C19CYP2C9TSHRMTOR | |
| SCHEMBL8288760 | 0.78 | — | — | |
| SCHEMBL30894898 | 0.78 | CYP2C9 (0.55) | HRH4CYP2C19CYP2C9TSHRMTOR |
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 |
|---|---|---|---|---|---|---|---|
| US-7985740-B2 | anti-inflammatory; (2R,3S,4R,5R)-2-(2-ethyl-2H-tetrazol-5-yl)-5-[2-{[2-(1H-imidazol-4-yl)ethyl]amino}-6-({trans-4-[(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-1H-purin-6-yl)amino]cyclohexyl}amino)-9H-purin-9-yl]tetrahydro-3,4-furandiol; immunosuppressive agents use in treatment of auto-immune diseases | GLAXO GROUP LIMITED (GB) | 2011-07-26 | — | — | US | disclosed |