Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 7/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.42 |
| ▸ | CCR5 | P51681 | 9/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586689 | 0.88 | CCR5 (0.51) | PGRCYP2D6CYP2C9CCR5 | |
| SCHEMBL4240149 | 0.87 | CCR5 (0.47) | PGRCYP2D6CYP2C9CCR5 | |
| SCHEMBL4586507 | 0.85 | CCR5 (0.43) | PGRCYP2D6CYP2C9CCR5 | |
| SCHEMBL4586343 | 0.84 | CCR5 (0.51) | PGRCYP2D6CYP2C9CCR5 | |
| SCHEMBL4586039 | 0.84 | PGR (0.40) | PGRCYP2D6CYP2C9CCR5MCHR1 | |
| SCHEMBL4242924 | 0.82 | GPR119 (0.48) | PGRCYP2D6CYP2C9 | |
| SCHEMBL4586220 | 0.80 | CCR5 (0.43) | PGRCYP2D6CYP2C9CCR5MCHR1 | |
| SCHEMBL4586245 | 0.79 | CCR5 (0.42) | CCR5 | |
| SCHEMBL4585495 | 0.77 | PGR (0.41) | PGRCYP2D6CYP2C9CCR5 | |
| SCHEMBL4587113 | 0.76 | CCR5 (0.57) | PGRCYP2D6CYP2C9CCR5 |
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-1708703-A4 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2008-04-09 | — | — | EP | disclosed |
| EP-1708703-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005059107-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2005-06-30 | — | — | WO | disclosed |