Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | PLD2 | O14939 | 1/20 | 0.35 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586088 | 0.88 | CCR5 (0.42) | CCR5KCNH2PGRCYP2D6CYP2C9 | |
| SCHEMBL4586676 | 0.87 | CCR5 (0.40) | CCR5KCNH2PGRCYP2D6CYP2C9 | |
| SCHEMBL4586245 | 0.86 | CCR5 (0.42) | CCR5 | |
| SCHEMBL4244786 | 0.84 | CCR5 (0.60) | CCR5KCNH2 | |
| SCHEMBL4586504 | 0.81 | CCR5 (0.56) | CCR5 | |
| SCHEMBL4586174 | 0.81 | CCR5 (0.43) | CCR5 | |
| SCHEMBL4586981 | 0.81 | CCR5 (0.49) | CCR5KCNH2 | |
| SCHEMBL4585509 | 0.80 | CCR5 (0.38) | CCR5PGRCYP2D6CYP2C9 | |
| SCHEMBL4585280 | 0.79 | CCR5 (0.48) | CCR5PGR | |
| SCHEMBL4587024 | 0.79 | CCR5 (0.44) | CCR5PGRCYP2D6CYP2C9 |
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 |