Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SLC40A1 | Q9NP59 | 10/20 | 0.48 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL13909540 | 0.83 | CXCR4 (0.58) | CXCR4SLC40A1 | |
| SCHEMBL3988925 | 0.82 | CXCR4 (0.56) | CXCR4SLC40A1 | |
| SCHEMBL14129578 | 0.79 | CXCR4 (0.88) | CXCR4 | |
| SCHEMBL4069667 | 0.79 | CXCR4 (0.88) | CXCR4 | |
| SCHEMBL4407703 | 0.79 | CXCR4 (0.55) | CXCR4SLC40A1 | |
| SCHEMBL5949953 | 0.79 | CXCR4 (0.53) | CXCR4SLC40A1 | |
| SCHEMBL4408925 | 0.78 | CXCR4 (0.50) | CXCR4SLC40A1 | |
| SCHEMBL1873467 | 0.77 | CXCR4 (0.47) | CXCR4KDM4ETSHRNPSR1POLB | |
| SCHEMBL4786868 | 0.76 | CXCR4 (0.54) | CXCR4TSHRPOLBSLC40A1 | |
| SCHEMBL14129569 | 0.76 | CXCR4 (0.85) | CXCR4 |
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-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | disclosed |