Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | JAK1 | P23458 | 2/20 | 0.37 |
| ▸ | TYK2 | P29597 | 2/20 | 0.37 |
| ▸ | JAK3 | P52333 | 2/20 | 0.37 |
| ▸ | TACR2 | P21452 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | MTR | Q99707 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27565024 | 0.85 | CCR5 (0.46) | ACHECCR5HTR1AHTR7DRD2 | |
| Hydrochloric Acid SCHEMBL7978846 | 0.85 | CCR5 (0.46) | ACHECCR5HTR1AHTR7DRD2 | |
| Hydrochloric Acid SCHEMBL7969030 | 0.83 | ACHE (0.46) | ACHECCR5HTR1AHTR7DRD2 | |
| SCHEMBL11562263 | 0.81 | ACHE (0.54) | ACHECCR5HTR1AHTR7DRD2 | |
| Hydrochloric Acid SCHEMBL7978864 | 0.79 | CCR5 (0.47) | ACHECCR5HTR1AHTR7DRD2 | |
| SCHEMBL11567764 | 0.79 | HTR1A (0.54) | ACHECCR5HTR1AHTR7DRD2 | |
| SCHEMBL8460693 | 0.78 | ACHE (0.65) | ACHECCR5HTR1AHTR7DRD2 | |
| SCHEMBL7968829 | 0.76 | ACHE (0.52) | ACHECCR5HTR1AHTR7DRD2 | |
| Hydrochloric Acid SCHEMBL7982489 | 0.75 | DRD2 (0.46) | ACHECCR5HTR1AHTR7DRD2 | |
| Hydrochloric Acid SCHEMBL7982454 | 0.75 | CCR5 (0.49) | ACHECCR5HTR1AHTR7DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6235730-B1 | ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT | JAPAN TOBACCO, INC. (JP) | 2001-05-22 | — | — | US | disclosed |
| CN-1252068-A | 3-piperidyl-4-oxoquinazoline derivatives and pharmaceutical compositions containing the same | JAPAN TOBACCO INC (JP) | 2000-05-03 | — | — | CN | disclosed |
| EP-0970954-A1 | 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME | JAPAN TOBACCO INC. (JP) | 2000-01-12 | — | — | EP | disclosed |