Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | CCR5 | P51681 | 3/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9014416 | 0.88 | KCNH2 (0.61) | KCNH2PDE4BDRD2HTR2ADRD3 | |
| SCHEMBL9014647 | 0.86 | KCNH2 (0.68) | KCNH2DRD2 | |
| SCHEMBL9014391 | 0.84 | KCNH2 (0.65) | KCNH2PDE4BDRD2PDE4APDE4C | |
| SCHEMBL9014660 | 0.84 | KCNH2 (0.65) | KCNH2DRD2 | |
| SCHEMBL9015278 | 0.84 | KCNH2 (0.65) | KCNH2DRD2 | |
| SCHEMBL9235680 | 0.82 | KCNH2 (0.60) | KCNH2CCR5DRD2HTR2AHTT | |
| SCHEMBL9015269 | 0.82 | KCNH2 (0.62) | KCNH2PDE4BDRD2 | |
| SCHEMBL9014359 | 0.80 | KCNH2 (0.89) | KCNH2DRD2 | |
| SCHEMBL9014400 | 0.76 | KCNH2 (0.69) | KCNH2PDE4BDRD2DRD3 | |
| SCHEMBL9014779 | 0.75 | KCNH2 (0.70) | KCNH2DRD2 |
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 |