Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 11/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CXCR3 | P49682 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6616691 | 0.95 | CCR5 (0.51) | CCR5HTR2AHTR1ADRD2DRD4 | |
| SCHEMBL6617828 | 0.94 | CCR5 (0.55) | CCR5HTR2AHTR1ADRD2DRD4 | |
| SCHEMBL6612777 | 0.94 | CCR5 (0.56) | CCR5HTR2AHTR1ADRD2DRD4 | |
| SCHEMBL6614526 | 0.94 | CCR5 (0.56) | CCR5HTR2AHTR1ADRD2DRD4 | |
| SCHEMBL6616667 | 0.93 | CXCR3 (0.51) | CCR5CXCR3 | |
| SCHEMBL6611736 | 0.91 | CCR5 (0.44) | CCR5HTR2AHTR1ADRD2DRD4 | |
| SCHEMBL6612655 | 0.91 | CCR5 (0.51) | CCR5HTR2AHTR1ADRD2DRD4 | |
| SCHEMBL6614723 | 0.91 | CXCR3 (0.54) | CCR5HTR2AHTR1ADRD2DRD4 | |
| SCHEMBL6612281 | 0.90 | DRD2 (0.45) | CCR5HTR2AHTR1ADRD2DRD4 | |
| SCHEMBL6012671 | 0.89 | CCR5 (0.55) | CCR5CXCR4OPRM1KCNH2SIGMAR1 |
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-1236726-B1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2004-12-01 | — | — | EP | disclosed |
| EP-1236726-A1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-09-04 | — | — | EP | disclosed |