Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 14/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | 0.96 | CCR5 (0.51) | CCR5PGRCYP2D6CYP2C9DCUN1D1 | |
| SCHEMBL4585533 | 0.91 | CCR5 (0.50) | CCR5PGRDCUN1D1KCNH2F10 | |
| SCHEMBL4587113 | 0.88 | CCR5 (0.57) | CCR5PGRCYP2D6CYP2C9DCUN1D1 | |
| SCHEMBL4586764 | 0.87 | CCR5 (0.51) | CCR5PGRCYP2D6CYP2C9DCUN1D1 | |
| SCHEMBL4587621 | 0.85 | CCR5 (0.55) | CCR5PGRCYP2D6CYP2C9DCUN1D1 | |
| SCHEMBL4235955 | 0.85 | CCR5 (0.60) | CCR5PGRCYP2D6CYP2C9DCUN1D1 | |
| SCHEMBL4586715 | 0.84 | CCR5 (0.55) | CCR5PGRCYP2D6CYP2C9DCUN1D1 | |
| SCHEMBL4586756 | 0.84 | CCR5 (0.62) | CCR5PGRCYP2D6CYP2C9KCNH2 | |
| SCHEMBL4586037 | 0.84 | PGR (0.42) | CCR5PGRCYP2D6CYP2C9 | |
| SCHEMBL4586590 | 0.83 | CCR5 (0.47) | CCR5PGRCYP2D6CYP2C9DCUN1D1 |
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 |