Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3322121 | 0.91 | CHRM1 (0.55) | HRH2MAPTPDK1PDK2PDK3 | |
| SCHEMBL8033959 | 0.90 | CHRM1 (0.54) | HRH2MAPTPDK1PDK2PDK3 | |
| SCHEMBL2897867 | 0.83 | HRH2 (0.50) | HRH2PDK1PDK2PDK3PDK4 | |
| SCHEMBL2897868 | 0.83 | HRH2 (0.50) | HRH2PDK1PDK2PDK3PDK4 | |
| SCHEMBL8210708 | 0.83 | HRH2 (0.50) | HRH2PDK1PDK2PDK3PDK4 | |
| SCHEMBL21802537 | 0.83 | SIGMAR1 (0.53) | HRH2CHRM1SMN1; SMN2TSHR | |
| SCHEMBL4301970 | 0.81 | HPGD (0.48) | HRH2MAPTPOLBHPGDSMN1; SMN2 | |
| SCHEMBL4301981 | 0.81 | HPGD (0.48) | HRH2MAPTPOLBHPGDSMN1; SMN2 | |
| SCHEMBL15055273 | 0.81 | CHRM1 (0.54) | HRH2MAPTPDK1PDK2PDK3 | |
| SCHEMBL15055274 | 0.81 | CHRM1 (0.54) | HRH2MAPTPDK1PDK2PDK3 |
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-2049529-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008008518-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-01-17 | — | — | WO | disclosed |