Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 4/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.43 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.43 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.43 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.43 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.43 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | GRK6 | P43250 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23255144 | 0.83 | SLC6A2 (0.45) | — | |
| SCHEMBL209319 | 0.78 | HRH1 (0.59) | HRH1HRH3ROCK1ROCK2PRKACA | |
| SCHEMBL15030362 | 0.78 | HRH1 (0.59) | HRH1HRH3ROCK1KCNH2ROCK2 | |
| Hydrochloric Acid SCHEMBL23086789 | 0.77 | HRH1 (0.58) | HRH1HRH3ROCK1ROCK2PRKACA | |
| SCHEMBL15567236 | 0.75 | HRH1 (0.62) | HRH1HRH3ROCK1KCNH2ROCK2 | |
| SCHEMBL8801971 | 0.75 | HRH1 (0.51) | HRH1HRH3ROCK1KCNH2ROCK2 | |
| SCHEMBL943416 | 0.75 | KCNH2 (0.52) | HRH1KCNH2 | |
| SCHEMBL2019376 | 0.75 | HRH1 (0.70) | HRH1HRH3ROCK1KCNH2ROCK2 | |
| SCHEMBL24205554 | 0.75 | SLC18A3 (0.50) | ALDH1A1 | |
| SCHEMBL14684839 | 0.74 | HRH1 (0.54) | HRH1HRH3ROCK1KCNH2ROCK2 |
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-0635505-B1 | 4-Aryloxy- and 4-arylthiopiperidine derivatives | MERCK PATENT GMBH (DE) | 1997-10-15 | — | — | EP | disclosed |
| US-5561145-A | 4-aryloxy- and 4-arylthiopiperidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) | 1996-10-01 | — | — | US | disclosed |
| EP-0635505-A1 | 4-Aryloxy- and 4-arylthiopiperidine derivatives | MERCK PATENT GmbH (DE) | 1995-01-25 | — | — | EP | disclosed |