Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL22894729 | 1.00 | CXCR4 (0.49) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL5050923 | 0.90 | CXCR4 (0.53) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL4828646 | 0.88 | CXCR4 (0.50) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL14303642 | 0.88 | CXCR4 (0.52) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL5054280 | 0.88 | CXCR4 (0.54) | CXCR4 | |
| SCHEMBL3375920 | 0.88 | CXCR4 (0.49) | CXCR4CYP2D6 | |
| SCHEMBL5057529 | 0.87 | CXCR4 (0.58) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL4713761 | 0.87 | CXCR4 (0.48) | CXCR4KCNH2CHRM2CYP2D6DRD2 | |
| SCHEMBL5054150 | 0.86 | CXCR4 (0.46) | CXCR4 | |
| SCHEMBL4716687 | 0.86 | CXCR4 (0.50) | CXCR4KCNH2CHRM2CYP2D6DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111655261-A | Acyclic CXCR4 inhibitors and uses thereof | X4 制药有限公司 | 2020-09-11 | — | — | CN | disclosed |