Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 5/20 | 0.46 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5574432 | 0.83 | CXCR4 (0.48) | CXCR4P2RX3SCN8ATLR7MAPK1 | |
| SCHEMBL5576630 | 0.76 | SCN8A (0.35) | CXCR4SCN8ATLR7EGFR | |
| SCHEMBL2083756 | 0.76 | CXCR4 (0.53) | CXCR4P2RX3TLR7HDAC1HDAC2 | |
| SCHEMBL20278941 | 0.71 | NOS3 (0.37) | CXCR4P2RX3TLR7HDAC6 | |
| SCHEMBL12812606 | 0.68 | KCNA5 (0.49) | SCN8ACHRM2CHRM1EGFR | |
| SCHEMBL22894779 | 0.67 | CYP1A2 (0.58) | — | |
| SCHEMBL30894457 | 0.67 | CHRM2 (0.62) | SCN8AGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL20031861 | 0.66 | NOS3 (0.41) | CXCR4TLR7HDAC6 | |
| SCHEMBL1968196 | 0.66 | NOS3 (0.41) | CXCR4TLR7HDAC6CHRM2CHRM4 | |
| SCHEMBL15131054 | 0.66 | SLC6A2 (0.65) | CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | claimed |