Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 8/20 | 0.65 |
| ▸ | DRD3 | P35462 | 5/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.65 |
| ▸ | USP2 | O75604 | 3/20 | 0.65 |
| ▸ | HRH2 | P25021 | 2/20 | 0.65 |
| ▸ | HTR2A | P28223 | 2/20 | 0.65 |
| ▸ | HTR2B | P41595 | 2/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.65 |
| ▸ | TEK | Q02763 | 1/20 | 0.65 |
| ▸ | DRD2 | P14416 | 3/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.64 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL2058756 | 0.81 | DRD3 (0.95) | HRH1DRD3KCNH2USP2HRH2 | |
| Hydrochloric Acid SCHEMBL10930690 | 0.81 | HRH1 (0.96) | HRH1DRD3KCNH2USP2HRH2 | |
| Etodroxizine SCHEMBL9064076 | 0.80 | DRD3 (0.98) | HRH1DRD3KCNH2USP2HRH2 | |
| Etodroxizine SCHEMBL668191 | 0.80 | DRD3 (0.98) | HRH1DRD3KCNH2USP2HRH2 | |
| SCHEMBL13302855 | 0.80 | DRD3 (0.76) | HRH1DRD3KCNH2USP2HRH2 | |
| SCHEMBL2058384 | 0.80 | HRH1 (0.80) | HRH1DRD3KCNH2USP2HRH2 | |
| SCHEMBL13949317 | 0.79 | DRD3 (0.83) | HRH1DRD3KCNH2USP2HRH2 | |
| SCHEMBL10063666 | 0.79 | DRD3 (0.83) | HRH1DRD3KCNH2USP2HRH2 | |
| SCHEMBL13035055 | 0.79 | DRD3 (0.83) | HRH1DRD3KCNH2USP2HRH2 | |
| SCHEMBL18361270 | 0.79 | DRD3 (0.63) | HRH1DRD3KCNH2USP2HRH2 |
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-3074001-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER | The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015080949-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2015-06-04 | — | — | WO | disclosed |