Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4759991 | 0.92 | CXCR4 (0.58) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL5057544 | 0.86 | CXCR4 (0.51) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| Ammonia Solution, Strong SCHEMBL5054307 | 0.84 | CXCR4 (0.55) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2509864 | 0.81 | CXCR4 (0.54) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL5057540 | 0.81 | CXCR4 (0.53) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4760828 | 0.75 | SLC40A1 (0.59) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL31257251 | 0.75 | SLC40A1 (0.59) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL3370850 | 0.75 | SLC40A1 (0.59) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL5057451 | 0.75 | CXCR4 (0.76) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2509329 | 0.75 | CXCR4 (0.54) | CXCR4CHRM2CYP2D6DRD2OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010025416-A1 | CXCR4 ANTAGONISTS FOR KIDNEY INJURY | GENZYME CORPORATION (US) | 2010-03-04 | — | — | WO | disclosed |