Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7463510 | 0.97 | CCR5 (0.48) | HTR1ACCR5DRD2DRD4DRD3 | |
| SCHEMBL7458312 | 0.86 | KDM4E (0.58) | CCR5HTR2AHTR2C | |
| SCHEMBL7464185 | 0.85 | KDM4E (0.57) | CCR5HTR2AHTR2C | |
| SCHEMBL5073448 | 0.83 | KDM4E (0.56) | CCR5HTR2AHTR2C | |
| SCHEMBL7456711 | 0.81 | ADRA1B (0.48) | CCR5DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL7465744 | 0.81 | CCR5 (0.62) | CCR5 | |
| SCHEMBL7464238 | 0.81 | CCR5 (0.53) | CCR5 | |
| Hydrochloric Acid SCHEMBL7468181 | 0.81 | CCR5 (0.50) | CCR5DRD3HTR2A | |
| Hydrochloric Acid SCHEMBL7470069 | 0.80 | CCR5 (0.52) | CCR5 | |
| SCHEMBL7455494 | 0.80 | CCR5 (0.49) | CCR5DRD3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1180513-A1 | CYCLIC AMIDE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-20 | — | — | EP | disclosed |