Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | CCR3 | P51677 | 4/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2084734 | 0.88 | TRPV1 (0.38) | CYP3A4CXCR4TRPV1 | |
| SCHEMBL5051530 | 0.88 | SMO (0.36) | CYP3A4CCR3CXCR4SMOTRPV1 | |
| SCHEMBL23428751 | 0.87 | CXCR4 (0.36) | CYP3A4CCR3CXCR4SMOTRPV1 | |
| SCHEMBL2084270 | 0.86 | CXCR4 (0.40) | HTR2BCXCR4SMOTYRO3 | |
| SCHEMBL2084834 | 0.86 | TRPV1 (0.38) | CYP3A4CCR3CXCR4SMOTRPV1 | |
| SCHEMBL2083669 | 0.85 | MEN1 (0.44) | — | |
| SCHEMBL2082435 | 0.83 | FAAH (0.38) | CYP3A4CCR3CXCR4SMOTRPV1 | |
| SCHEMBL2084322 | 0.82 | TRPV1 (0.36) | RBP4TRPV1 | |
| SCHEMBL5053640 | 0.82 | CXCR4 (0.37) | CYP3A4CXCR4RBP4SMOTRPV1 | |
| SCHEMBL2082075 | 0.81 | CXCR4 (0.38) | 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 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 |