Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.54 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.54 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27019090 | 1.00 | PARP1 (0.57) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL27011301 | 0.91 | PARP1 (0.55) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL24325790 | 0.91 | PARP1 (0.55) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL2380922 | 0.90 | PDK1 (0.67) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8117814 | 0.90 | PDK1 (0.67) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL30289307 | 0.88 | PARP1 (0.58) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL1375861 | 0.87 | PARP1 (0.58) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL957813 | 0.87 | PARP1 (0.58) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL3766378 | 0.87 | PARP1 (0.58) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL30289174 | 0.86 | PARP1 (0.57) | PARP1PDK1PDK2PDK3PDK4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8362009-B2 | Substituted diazepan orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-29 | — | — | US | disclosed |
| EP-2214676-B1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-11-21 | — | — | EP | disclosed |
| US-20100256121-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | disclosed |
| EP-2214676-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009058238-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-05-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100256121-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, OXTR | PARP1 4495/4885PDK1 2643/4885PDK2 2184/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.