Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 13/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL20496328 | 0.86 | HSD11B1 (0.51) | HSD11B1CTSSDRD2SLC6A4CYP3A4 | |
| SCHEMBL14992429 | 0.83 | HSD11B1 (0.53) | HSD11B1DRD2SLC6A4CYP3A4TNKS | |
| SCHEMBL10145862 | 0.81 | PIK3CA (0.51) | HSD11B1PIK3CAMTORPRKDC | |
| SCHEMBL10145870 | 0.79 | HTR7 (0.43) | HSD11B1CTSSDRD2SLC6A4CYP3A4 | |
| SCHEMBL14992973 | 0.78 | PIK3CA (0.51) | HSD11B1CTSSDRD2SLC6A4PIK3CA | |
| SCHEMBL14992428 | 0.76 | HSD11B1 (0.41) | HSD11B1CTSSDRD2SLC6A4CYP3A4 | |
| SCHEMBL10145863 | 0.67 | PARP2 (0.47) | HSD11B1DRD2SLC6A4PARP2PIK3CA | |
| SCHEMBL10145954 | 0.67 | PIK3CA (0.47) | HSD11B1CTSSDRD2SLC6A4CYP3A4 | |
| SCHEMBL30724611 | 0.66 | EZH2 (0.48) | HSD11B1DRD2SLC6A4PARP2PIK3CA | |
| SCHEMBL30724606 | 0.65 | DRD2 (0.44) | HSD11B1CTSSDRD2SLC6A4PIK3CA |
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-2012021382-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | WO | disclosed |