Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL5576989 | 0.81 | CXCR4 (0.40) | ADAMTS4MMP2MMP9MMP13MMP14 | |
| SCHEMBL2086000 | 0.76 | CXCR4 (0.46) | CXCR4ACKR3USP2 | |
| SCHEMBL23428555 | 0.74 | KDM4E (0.46) | CXCR4 | |
| SCHEMBL2084725 | 0.74 | ALDH1A1 (0.42) | CXCR4ACKR3USP2 | |
| SCHEMBL2081000 | 0.72 | TDP1 (0.47) | CXCR4ACKR3CCR5 | |
| SCHEMBL4535370 | 0.72 | CCR5 (0.44) | CXCR4ACKR3CCR5 | |
| SCHEMBL2083868 | 0.72 | CXCR4 (0.42) | ADAMTS4MMP2MMP9MMP13MMP14 | |
| SCHEMBL2082352 | 0.71 | SMO (0.43) | CXCR4ACKR3CCR5 | |
| SCHEMBL12935360 | 0.71 | CCR5 (0.41) | CXCR4ACKR3CCR5 | |
| SCHEMBL2083565 | 0.70 | CXCR4 (0.37) | CXCR4CCR5 |
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 |