Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | GHSR | Q92847 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14102764 | 1.00 | CXCR4 (0.47) | CXCR4CYP2D6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL14103527 | 0.97 | CXCR4 (0.48) | CXCR4CYP2D6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL14102751 | 0.97 | CXCR4 (0.51) | CXCR4CYP2D6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL14103210 | 0.94 | CXCR4 (0.48) | CXCR4CYP2D6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL14103209 | 0.94 | CXCR4 (0.48) | CXCR4CYP2D6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL2693787 | 0.92 | CXCR4 (0.50) | CXCR4CYP2D6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL2696551 | 0.92 | CXCR4 (0.50) | CXCR4CYP2D6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL2692430 | 0.89 | CXCR4 (0.51) | CXCR4CYP2D6CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL2695052 | 0.88 | CXCR4 (0.54) | CXCR4CYP2D6CYP3A4ALDH1A1DRD4 | |
| SCHEMBL2695789 | 0.88 | CXCR4 (0.54) | CXCR4CYP2D6CYP3A4ALDH1A1DRD4 |
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-1961744-A1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-08-27 | — | — | EP | disclosed |