Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10407581 | 0.88 | KCNH2 (0.71) | KCNH2MAPK1CCR5DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL10407829 | 0.87 | KCNH2 (0.70) | KCNH2MAPK1CCR5DRD2HTR2A | |
| SCHEMBL9014412 | 0.85 | KCNH2 (0.52) | KCNH2MAPK1CCR5DRD2HTR2A | |
| SCHEMBL9235680 | 0.84 | KCNH2 (0.60) | KCNH2MAPK1CCR5DRD2HTR2A | |
| SCHEMBL9014359 | 0.84 | KCNH2 (0.89) | KCNH2DRD2 | |
| SCHEMBL9014697 | 0.83 | KCNH2 (0.66) | KCNH2MAPK1 | |
| SCHEMBL9014779 | 0.81 | KCNH2 (0.70) | KCNH2DRD2DRD4 | |
| SCHEMBL9014400 | 0.80 | KCNH2 (0.69) | KCNH2MAPK1DRD2ALDH1A1KMT2A | |
| SCHEMBL9014729 | 0.80 | KCNH2 (0.69) | KCNH2MAPK1DRD2ALDH1A1KMT2A | |
| SCHEMBL9014758 | 0.80 | KCNH2 (0.69) | KCNH2MAPK1CCR5DRD2HTR2A |
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 |