Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 17/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30338447 | 0.92 | CXCR4 (0.52) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| SCHEMBL21055028 | 0.80 | HDAC1 (0.68) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| SCHEMBL5575215 | 0.78 | HDAC1 (0.65) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| SCHEMBL29823139 | 0.77 | HDAC1 (0.62) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| SCHEMBL1882612 | 0.77 | HDAC1 (0.62) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| SCHEMBL18281416 | 0.77 | L3MBTL1 (0.50) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| Bromide SCHEMBL4543315 | 0.77 | HDAC1 (0.61) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| SCHEMBL13909820 | 0.76 | HDAC1 (0.76) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| SCHEMBL1882131 | 0.75 | HDAC1 (0.59) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 | |
| SCHEMBL29823178 | 0.75 | HDAC1 (0.59) | CXCR4HDAC1HDAC6CYP2D6CYP3A4 |
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-7183273-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED, INC. (CA) | 2007-02-27 | — | — | US | disclosed |