Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL8966776 | 0.94 | HRH3 (0.43) | HRH3ALDH1A1TSHRLTA4HKDM4E | |
| SCHEMBL8967237 | 0.92 | HRH3 (0.46) | HRH3ALDH1A1TSHRLTA4HKDM4E | |
| SCHEMBL8967292 | 0.92 | HRH3 (0.46) | HRH3ALDH1A1TSHRLTA4HKDM4E | |
| Hydrochloric Acid SCHEMBL27376006 | 0.90 | HRH3 (0.45) | HRH3ALDH1A1TSHRLTA4HKDM4E | |
| SCHEMBL8715077 | 0.90 | LTA4H (0.45) | HRH3ALDH1A1TSHRLTA4HKDM4E | |
| SCHEMBL13895095 | 0.87 | ALDH1A1 (0.44) | HRH3ALDH1A1TSHRLTA4HKDM4E | |
| SCHEMBL4173915 | 0.84 | HRH3 (0.52) | HRH3ALDH1A1TSHRLTA4HLMNA | |
| SCHEMBL12055886 | 0.82 | ALDH1A1 (0.50) | HRH3ALDH1A1TSHRLTA4HKDM4E | |
| SCHEMBL690245 | 0.80 | ALDH1A1 (0.45) | HRH3ALDH1A1TSHRLTA4HKDM4E | |
| Iodide SCHEMBL8913931 | 0.80 | HRH3 (0.52) | HRH3LTA4HKDM4EGAAGNAI3 |
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-0468434-B1 | Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis | MERRELL DOW PHARMA (US) | 1996-02-28 | — | — | EP | disclosed |
| US-5348964-A | Anticholesterol agents or fungicides | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-09-20 | — | — | US | disclosed |
| EP-0468434-A1 | Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis | MERRELL PHARMACEUTICALS INC. (US) | 1992-01-29 | — | — | EP | disclosed |