Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.32 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | RPLP1 | P05386 | 1/20 | 0.31 |
| ▸ | RPLP0 | P05388 | 1/20 | 0.31 |
| ▸ | RPS17 | P08708 | 1/20 | 0.31 |
| ▸ | RPSA | P08865 | 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 | |
|---|---|---|---|---|
| SCHEMBL5574598 | 1.00 | CXCR4 (0.37) | CXCR4CCR5KCNH2POLBTDP1 | |
| SCHEMBL2083632 | 0.84 | CXCR4 (0.37) | CXCR4CCR5KCNH2POLBTDP1 | |
| SCHEMBL12935469 | 0.84 | CXCR4 (0.37) | CXCR4CCR5KCNH2POLBTDP1 | |
| SCHEMBL12935360 | 0.82 | CCR5 (0.41) | CXCR4CCR5KCNH2POLBTDP1 | |
| SCHEMBL23428598 | 0.81 | — | — | |
| SCHEMBL2084702 | 0.80 | CXCR4 (0.41) | CXCR4CCR5KCNH2POLBTDP1 | |
| SCHEMBL2083629 | 0.80 | MAPK1 (0.36) | CXCR4CCR5KCNH2TDP1CCR3 | |
| Hydroxyamine SCHEMBL4518793 | 0.79 | CCR5 (0.43) | CXCR4CCR5KCNH2POLBTDP1 | |
| SCHEMBL4535370 | 0.79 | CCR5 (0.44) | CXCR4CCR5KCNH2TDP1ACKR3 | |
| SCHEMBL2081000 | 0.79 | TDP1 (0.47) | CXCR4CCR5KCNH2TDP1ACKR3 |
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 | disclosed |