Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.36 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.32 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26193868 | 0.81 | ACHE (0.47) | HRH3DRD2SIGMAR1 | |
| SCHEMBL13945588 | 0.78 | LTA4H (0.33) | LTA4HDRD2 | |
| SCHEMBL17506035 | 0.77 | ACHE (0.36) | HRH3HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL14098133 | 0.75 | ACHE (0.38) | HRH3DRD2SIGMAR1 | |
| SCHEMBL16976579 | 0.75 | HRH3 (0.37) | HRH3LTA4H | |
| SCHEMBL8050325 | 0.74 | MC4R (0.44) | — | |
| SCHEMBL12956814 | 0.73 | HRH3 (0.45) | L3MBTL3HRH3 | |
| SCHEMBL14452265 | 0.72 | ALDH1A1 (0.41) | LTA4H | |
| SCHEMBL13716102 | 0.72 | LTA4H (0.34) | HRH3LTA4HKDM1A | |
| SCHEMBL10069986 | 0.72 | ALDH1A1 (0.41) | LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011100380-A1 | ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | CELGENE CORPORATION (US) | 2011-08-18 | — | — | WO | disclosed |