Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.42 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | BCL9 | O00512 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4860080 | 1.00 | PARP1 (0.58) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL13340759 | 1.00 | PARP1 (0.58) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL13705162 | 0.95 | PARP1 (0.57) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8123475 | 0.94 | PARP1 (0.55) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8112397 | 0.94 | PARP1 (0.54) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL13705541 | 0.92 | PARP1 (0.53) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL13705115 | 0.92 | PARP1 (0.53) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8123342 | 0.91 | PARP1 (0.52) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8113623 | 0.91 | PARP1 (0.53) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL13705543 | 0.91 | PARP1 (0.53) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7405217-B2 | N-aroyl piperazine derivatives as orexin receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 2008-07-29 | — | — | US | disclosed |
| US-20070167457-A1 | N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC | 2007-07-19 | — | — | US | disclosed |
| US-7166608-B2 | N-aroyl piperazine derivatives as orexin receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 2007-01-23 | — | — | US | disclosed |
| US-20040242575-A1 | N-aroyl piperazine derivatives as orexin receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-12-02 | — | — | US | disclosed |
| EP-1434583-A1 | N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003032991-A1 | N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2003-04-24 | — | — | 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 (2 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-20040242575-A1 | N-aroyl piperazine derivatives as orexin receptor antagonists | HCRTR2, HCRTR1, CNR1 | PARP1 3197/4885PDK1 3688/4885PDK2 2788/4885 |
| US-20070167457-A1 | N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NPSR1 | PARP1 3413/4885PDK1 2302/4885PDK2 1652/4885 |
“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.