Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL4067781 | 0.97 | CXCR4 (0.53) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4066327 | 0.95 | CXCR4 (0.51) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4073790 | 0.95 | CXCR4 (0.53) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4078052 | 0.94 | CXCR4 (0.54) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4068861 | 0.93 | CXCR4 (0.51) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4073359 | 0.93 | CXCR4 (0.53) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4069936 | 0.92 | CXCR4 (0.51) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4074206 | 0.91 | CXCR4 (0.52) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4066966 | 0.91 | CXCR4 (0.54) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4067708 | 0.90 | CXCR4 (0.51) | CXCR4CYP3A4CYP2D6CYP1A2ALDH1A1 |
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-2055705-A1 | COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF | Ono Pharmaceutical CO., LTD. (JP) | 2009-05-06 | — | — | EP | disclosed |