Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL11147751 | 0.91 | EPHX1 (0.41) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL1088775 | 0.76 | EPHX1 (0.58) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL3417081 | 0.76 | EPHX1 (0.46) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL11668319 | 0.76 | EPHX1 (0.46) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL1324498 | 0.76 | EPHX1 (0.46) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL11686626 | 0.76 | EPHX1 (0.46) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL11686622 | 0.76 | EPHX1 (0.46) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL9297316 | 0.76 | EPHX1 (0.46) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL11521771 | 0.76 | EPHX1 (0.41) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL11521779 | 0.76 | EPHX1 (0.41) | EPHX1CYP2D6TP53LMNAMEN1 |
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 |