Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL7907303 | 0.73 | MC4R (0.40) | — | |
| SCHEMBL7908417 | 0.60 | KIT (0.40) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4092929 | 0.55 | HSD11B1 (0.49) | HSD11B1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17611772 | 0.55 | OPRM1 (0.38) | HSD11B1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL8023232 | 0.54 | PSEN1 (0.49) | HSD11B1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19416252 | 0.54 | LTA4H (0.44) | MAPT | |
| SCHEMBL12685149 | 0.54 | HSD11B1 (0.54) | HSD11B1 | |
| SCHEMBL3715276 | 0.54 | HSD11B1 (0.54) | HSD11B1 | |
| SCHEMBL2873080 | 0.53 | HSD11B1 (0.49) | HSD11B1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL672150 | 0.53 | ALDH1A1 (0.51) | — |
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-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |