Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | TAF1 | P21675 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15502380 | 0.87 | QDPR (0.50) | QDPRDRD2DRD3CHRM2HTR1A | |
| SCHEMBL20931702 | 0.87 | HTR2C (0.41) | DRD2ADRA1AOPRM1 | |
| SCHEMBL14157609 | 0.87 | HTR2C (0.41) | DRD2ADRA1AOPRM1 | |
| SCHEMBL14121280 | 0.87 | HTR2C (0.41) | DRD2ADRA1AOPRM1 | |
| Hydrochloric Acid SCHEMBL14157452 | 0.85 | HTR2C (0.42) | DRD2 | |
| Hydrochloric Acid SCHEMBL14121999 | 0.85 | HTR2C (0.42) | DRD2 | |
| Hydrochloric Acid SCHEMBL20916768 | 0.85 | HTR2C (0.42) | DRD2 | |
| SCHEMBL23251067 | 0.78 | DRD3 (0.49) | QDPRDRD2DRD3HTR1ADRD1 | |
| SCHEMBL328311 | 0.77 | QDPR (0.53) | QDPRDRD2DRD1TAF1HTR6 | |
| SCHEMBL9488308 | 0.76 | DRD2 (0.54) | DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1644369-A2 | ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005005395-A2 | ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-20 | — | — | WO | disclosed |