Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 17/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6047391 | 0.99 | HDAC1 (0.53) | HDAC1HDAC6CXCR4 | |
| SCHEMBL5050982 | 0.91 | CXCR4 (0.53) | HDAC1HDAC6CXCR4 | |
| SCHEMBL4203768 | 0.91 | CXCR4 (0.53) | HDAC1HDAC6CXCR4 | |
| SCHEMBL30096642 | 0.91 | CXCR4 (0.53) | HDAC1HDAC6CXCR4 | |
| SCHEMBL4889228 | 0.86 | HDAC1 (0.54) | HDAC1HDAC6CXCR4 | |
| SCHEMBL3736077 | 0.86 | HDAC1 (0.54) | HDAC1HDAC6CXCR4 | |
| SCHEMBL4123198 | 0.86 | HDAC1 (0.54) | HDAC1HDAC6CXCR4 | |
| SCHEMBL21784360 | 0.85 | HDAC1 (0.51) | HDAC1HDAC6CXCR4 | |
| SCHEMBL3996453 | 0.84 | HDAC1 (0.56) | HDAC1HDAC6CXCR4 | |
| SCHEMBL29067448 | 0.83 | HDAC1 (0.52) | HDAC1HDAC6CXCR4 |
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-1465889-A4 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC (CA) | 2008-05-14 | — | — | EP | disclosed |
| EP-1465889-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | AnorMED Inc. (CA) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003055876-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2003-07-10 | — | — | WO | disclosed |