Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 3/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.30 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5574543 | 0.79 | CXCR4 (0.36) | CXCR4SCN8A | |
| SCHEMBL4212477 | 0.76 | CXCR4 (0.40) | CXCR4KDM1AMAOAMAOB | |
| SCHEMBL5576619 | 0.74 | CXCR4 (0.32) | CXCR4SLC40A1 | |
| SCHEMBL4206736 | 0.74 | CXCR4 (0.42) | CXCR4CHRM2NOS1 | |
| SCHEMBL10483857 | 0.72 | CHRM2 (0.42) | CXCR4SCN8AKDM1AMAOAMAOB | |
| SCHEMBL10483874 | 0.72 | KDM1A (0.43) | SCN8AKDM1AMAOAMAOBCHRM2 | |
| SCHEMBL5574432 | 0.72 | CXCR4 (0.48) | CXCR4SCN8A | |
| SCHEMBL5576023 | 0.71 | SCN8A (0.38) | CXCR4SCN8ACHRM2SIRT2SLC40A1 | |
| SCHEMBL23428545 | 0.71 | CHRM2 (0.45) | CXCR4SCN8AKDM1AMAOAMAOB | |
| SCHEMBL3265517 | 0.71 | CHRM2 (0.44) | SCN8AKDM1AMAOAMAOBCHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |