Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 9/20 | 0.43 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3101267 | 0.85 | CYP2D6 (0.45) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL8060435 | 0.83 | OPRD1 (0.50) | OPRD1OPRK1SCD5GPR119STS | |
| SCHEMBL14198702 | 0.82 | GPR119 (0.50) | PDK1PDK2PDK3PDK4OPRD1 | |
| SCHEMBL12340707 | 0.82 | GPR119 (0.50) | PDK1PDK2PDK3PDK4OPRD1 | |
| SCHEMBL15055262 | 0.82 | GPR119 (0.50) | PDK1PDK2PDK3PDK4OPRD1 | |
| SCHEMBL2897868 | 0.81 | HRH2 (0.50) | PDK1PDK2PDK3PDK4JAK2 | |
| SCHEMBL8210708 | 0.81 | HRH2 (0.50) | PDK1PDK2PDK3PDK4JAK2 | |
| SCHEMBL2897867 | 0.81 | HRH2 (0.50) | PDK1PDK2PDK3PDK4JAK2 | |
| SCHEMBL17086784 | 0.78 | KMT2A (0.49) | PDK1PDK2PDK3PDK4OPRD1 | |
| SCHEMBL3151932 | 0.78 | KMT2A (0.49) | PDK1PDK2PDK3PDK4OPRD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2214676-B1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2009058238-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-05-07 | — | — | WO | disclosed |