Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.66 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | TLR3 | O15455 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL9014697 | 0.93 | KCNH2 (0.66) | KCNH2PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL9014779 | 0.87 | KCNH2 (0.70) | KCNH2DRD2ABCB1 | |
| SCHEMBL9014729 | 0.86 | KCNH2 (0.69) | KCNH2TLR9TLR7DRD2TLR4 | |
| SCHEMBL9014758 | 0.86 | KCNH2 (0.69) | KCNH2PDE4BTLR9TLR7DRD2 | |
| SCHEMBL9014400 | 0.86 | KCNH2 (0.69) | KCNH2PDE4BTLR9TLR7DRD2 | |
| SCHEMBL9014359 | 0.85 | KCNH2 (0.89) | KCNH2TLR9TLR7DRD2 | |
| SCHEMBL9015269 | 0.82 | KCNH2 (0.62) | KCNH2PDE4BTLR9TLR7DRD2 | |
| SCHEMBL9677908 | 0.81 | KCNH2 (0.77) | KCNH2TLR9TLR7DRD2TLR4 | |
| Hydrochloric Acid SCHEMBL10407809 | 0.80 | KCNH2 (0.76) | KCNH2TLR9TLR7DRD2TLR4 | |
| Terikalant SCHEMBL30770792 | 0.80 | KCNH2 (1.00) | KCNH2TLR9TLR7DRD2TLR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5495022-A | Piperidines and piperazines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-02-27 | — | — | US | disclosed |
| EP-0634398-A1 | 4-Phenylpiperidinyl-1/-piperazinyl-1-ethylsubstituted benzofusedheterocycles as antiarrhythmic agents | MERCK PATENT GmbH (DE) | 1995-01-18 | — | — | EP | disclosed |