Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9014719 | 0.84 | SIGMAR1 (0.52) | KCNH2CCR5DRD2SIGMAR1 | |
| SCHEMBL9014652 | 0.82 | KCNH2 (0.48) | KCNH2HTTCCR5DRD2SLC6A4 | |
| SCHEMBL9014707 | 0.82 | DRD2 (0.52) | KCNH2CCR5DRD2SIGMAR1HTR2A | |
| SCHEMBL9014362 | 0.82 | KCNH2 (0.65) | KCNH2DRD2TLR9TLR7 | |
| SCHEMBL9014782 | 0.81 | KCNH2 (0.47) | KCNH2HTTCCR5DRD2SLC6A4 | |
| SCHEMBL7298734 | 0.72 | SIGMAR1 (0.57) | KCNH2HTTCCR5DRD2SLC6A4 | |
| SCHEMBL9014380 | 0.70 | KCNH2 (0.48) | KCNH2DRD2SLC6A4SIGMAR1HTR2A | |
| SCHEMBL23384128 | 0.70 | HTT (0.46) | HTTDRD2DRD3 | |
| SCHEMBL4093709 | 0.70 | TLR9 (0.47) | HTTDRD2SLC6A4SIGMAR1TLR9 | |
| SCHEMBL14183799 | 0.70 | QDPR (0.54) | HTT |
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 |