Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2697323 | 0.93 | CXCR4 (0.53) | CXCR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL14102762 | 0.89 | CXCR4 (0.40) | CXCR4HRH3 | |
| SCHEMBL2695397 | 0.89 | CXCR4 (0.51) | CXCR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL2691751 | 0.84 | CXCR4 (0.63) | CXCR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL14102759 | 0.82 | L3MBTL3 (0.40) | CXCR4CYP3A4CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL2694554 | 0.81 | CHRM2 (0.44) | CXCR4HRH3 | |
| SCHEMBL2696010 | 0.81 | CXCR4 (0.48) | CXCR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL2692849 | 0.81 | CXCR4 (0.61) | CXCR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL2695409 | 0.80 | CXCR4 (0.62) | CXCR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL2695949 | 0.80 | CXCR4 (0.50) | CXCR4CYP3A4CYP2D6ALDH1A1CYP1A2 |
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 |