Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | GRM6 | O15303 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8042358 | 0.85 | PDK1 (0.44) | CYP2D6CYP3A4TSHRMAPTPDK1 | |
| SCHEMBL323624 | 0.81 | HRH2 (0.49) | CYP2D6CYP3A4TSHRMAPTUSP2 | |
| SCHEMBL3322121 | 0.79 | CHRM1 (0.55) | MAPTPDK1PDK2PDK3PDK4 | |
| SCHEMBL8033959 | 0.78 | CHRM1 (0.54) | MAPTPDK1PDK2PDK3PDK4 | |
| SCHEMBL4030458 | 0.77 | HRH2 (0.54) | TSHRMAPTPDK1PDK2PDK3 | |
| SCHEMBL28711007 | 0.76 | MAPT (0.45) | CYP2D6MAPT | |
| SCHEMBL4832341 | 0.74 | BRD4 (0.48) | TSHRMAPTPDK1PDK2PDK3 | |
| SCHEMBL16862197 | 0.74 | CYP2D6 (0.51) | CYP2D6CYP3A4TSHRMAPTCYP2C9 | |
| SCHEMBL6741206 | 0.73 | MAPT (0.68) | MAPTPDK1PDK2PDK3PDK4 | |
| SCHEMBL4048121 | 0.73 | MAPT (0.68) | MAPTPDK1PDK2PDK3PDK4 |
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 3 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 |
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 | CYP2D6 1621/4885CYP3A4 2683/4885TSHR 240/4885 |
“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.