Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6000609 | 0.81 | HRH1 (0.62) | CYP19A1IDO1TDO2CNR2HDAC4 | |
| SCHEMBL11994155 | 0.81 | CYP19A1 (0.48) | CYP19A1IDO1TDO2CNR2HDAC4 | |
| SCHEMBL5685635 | 0.81 | CYP19A1 (0.48) | CYP19A1IDO1TDO2CNR2HDAC4 | |
| SCHEMBL909022 | 0.80 | CPN1 (0.44) | CNR2HDAC4HDAC7HDAC5CES2 | |
| Ammonia Solution, Strong SCHEMBL6001112 | 0.80 | CYP19A1 (0.47) | CYP19A1IDO1TDO2CNR2HDAC4 | |
| SCHEMBL11831791 | 0.79 | CYP19A1 (0.51) | CYP19A1HTR2AHRH1 | |
| SCHEMBL11803738 | 0.79 | MEN1 (0.44) | IDO1TDO2HTR2AHRH1AOC3 | |
| SCHEMBL5635206 | 0.78 | HRH1 (0.60) | CYP19A1HTR2AHRH1SLC6A4SLC6A2 | |
| SCHEMBL14420456 | 0.77 | CYP19A1 (0.44) | CYP19A1IDO1TDO2CNR2HDAC4 | |
| SCHEMBL961251 | 0.77 | CPN1 (0.44) | CNR2HDAC4HDAC7HDAC5CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0102034-B1 | SPIRO(2H-1,4-BENZODIOXEPIN-3(5H)4'-PIPERIDINE AND 3'-PYRROLIDINO) COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-04-20 | — | — | EP | disclosed |
| US-4521537-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-06-04 | — | — | US | disclosed |
| EP-0102034-A1 | Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-03-07 | — | — | EP | disclosed |