Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.42 |
| ▸ | SMO | Q99835 | 4/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 4/20 | 0.37 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.37 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4556993 | 0.74 | HDAC6 (0.50) | — | |
| SCHEMBL13930380 | 0.73 | DRD2 (0.43) | DRD2HTR2AHTR2CTRPM8SCD | |
| SCHEMBL13930058 | 0.71 | HDAC1 (0.41) | DRD2HTR2AHTR2CTRPM8SCD | |
| SCHEMBL4566242 | 0.71 | CYP3A4 (0.42) | DRD2HTR2AHTR2CTRPM8SCD | |
| SCHEMBL13930468 | 0.71 | DRD2 (0.41) | DRD2HTR2AHTR2CTRPM8SCD | |
| SCHEMBL10611549 | 0.70 | HTR7 (0.44) | SMOHTR7GPR119 | |
| SCHEMBL647552 | 0.68 | PTPN11 (0.60) | SMOGPR119 | |
| SCHEMBL3048925 | 0.68 | KDM4E (0.54) | SMOGPR119 | |
| SCHEMBL29514660 | 0.68 | KDM4E (0.54) | SMOGPR119 | |
| SCHEMBL14844043 | 0.68 | SMO (0.56) | SMOGPR119 |
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-2009037542-A2 | SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-03-26 | — | — | WO | disclosed |