Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL2472931 | 0.89 | CXCR4 (0.40) | CXCR4DDB1CRBNPDE4AKDM4E | |
| SCHEMBL2473381 | 0.89 | CXCR4 (0.40) | CXCR4DDB1CRBNPDE4AKDM4E | |
| SCHEMBL11904060 | 0.88 | CXCR4 (0.33) | CXCR4P2RX7 | |
| SCHEMBL15387270 | 0.82 | CXCR4 (0.33) | CXCR4 | |
| SCHEMBL2472797 | 0.79 | CXCR4 (0.34) | CXCR4KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL2477025 | 0.78 | P2RX7 (0.38) | DDB1CRBNALDH1A1P2RX7CYP11B2 | |
| SCHEMBL2476959 | 0.78 | CXCR4 (0.35) | CXCR4 | |
| SCHEMBL2470276 | 0.76 | AR (0.37) | KDM4EALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL2476471 | 0.76 | AR (0.37) | KDM4EALDH1A1CYP1A2CYP3A4GAA | |
| SCHEMBL8301709 | 0.76 | CXCR4 (0.40) | CXCR4PARP1KDM4EGAA |
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-7550484-B2 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | GENZYME CORPORATION (US) | 2009-06-23 | — | — | US | disclosed |