Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 9/20 | 0.32 |
| ▸ | DRD3 | P35462 | 9/20 | 0.32 |
| ▸ | DRD4 | P21917 | 3/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2477001 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP19A1KDM4EDRD2DRD3 | |
| SCHEMBL4390013 | 0.86 | CXCR4 (0.38) | KDM4E | |
| SCHEMBL8305937 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP19A1KDM4ESMYD2 | |
| SCHEMBL4239716 | 0.72 | HDAC6 (0.37) | — | |
| SCHEMBL2476696 | 0.72 | CXCR4 (0.42) | NAMPT | |
| SCHEMBL2472935 | 0.71 | CXCR4 (0.41) | DRD2HTR1A | |
| SCHEMBL2475481 | 0.70 | CCR5 (0.45) | DRD2DRD3 | |
| SCHEMBL8304298 | 0.70 | ATM (0.40) | — | |
| SCHEMBL11904802 | 0.70 | CXCR4 (0.32) | — | |
| SCHEMBL2472086 | 0.69 | ATM (0.43) | — |
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 | claimed |