Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16499250 | 0.84 | CYP11B1 (0.37) | CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL12813234 | 0.84 | ALDH1A1 (0.33) | HSD11B1 | |
| SCHEMBL16499519 | 0.81 | SLC6A2 (0.35) | — | |
| SCHEMBL16499338 | 0.78 | CES2 (0.36) | CES2CES1 | |
| SCHEMBL16499576 | 0.76 | CES2 (0.36) | CES2CES1HSD11B1 | |
| SCHEMBL16499266 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL16499492 | 0.74 | AR (0.34) | HSD11B1CYP11B1CYP11B2 | |
| SCHEMBL12813382 | 0.73 | HSD11B1 (0.34) | CES2CES1HSD11B1CYP17A1CYP3A4 | |
| SCHEMBL16499387 | 0.72 | HDAC4 (0.34) | — | |
| SCHEMBL3897101 | 0.70 | CES2 (0.53) | CES2CES1KCNH2MCHR1 |
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-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |