Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | UBE2M | P61081 | 1/20 | 0.38 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586335 | 0.90 | CCR5 (0.53) | CCR5CHRM2CHRM3UBE2MDCUN1D1 | |
| SCHEMBL4586437 | 0.89 | CCR5 (0.47) | CCR5CHRM2CHRM3UBE2MDCUN1D1 | |
| SCHEMBL4586071 | 0.87 | KCNH2 (0.52) | CCR5PGRDCUN1D1 | |
| SCHEMBL4243399 | 0.84 | CCR5 (0.53) | CCR5PGRUBE2MDCUN1D1 | |
| SCHEMBL4586764 | 0.82 | CCR5 (0.51) | CCR5PGRUBE2MDCUN1D1DRD2 | |
| SCHEMBL4586432 | 0.75 | CCR5 (0.54) | CCR5DRD2 | |
| SCHEMBL4241233 | 0.74 | CCR5 (0.82) | CCR5 | |
| SCHEMBL3814514 | 0.73 | UBE2M (0.53) | CCR5UBE2MDCUN1D1 | |
| SCHEMBL3820960 | 0.73 | UBE2M (0.55) | CCR5UBE2MDCUN1D1 | |
| SCHEMBL4586731 | 0.73 | OPRM1 (0.53) | CCR5CHRM2CHRM3DRD2 |
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 |