Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 8/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | UBE2M | P61081 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586507 | 0.91 | CCR5 (0.43) | PGRCYP2D6CYP2C9CCR5NOS3 | |
| SCHEMBL4236571 | 0.86 | CCR5 (0.48) | PGRCYP2D6CYP2C9CCR5UBE2M | |
| SCHEMBL4586676 | 0.84 | CCR5 (0.40) | PGRCYP2D6CYP2C9OPRM1OPRD1 | |
| SCHEMBL4586764 | 0.81 | CCR5 (0.51) | PGRCYP2D6CYP2C9OPRM1OPRD1 | |
| SCHEMBL4242919 | 0.81 | MEN1 (0.51) | PGRCYP2D6CYP2C9 | |
| SCHEMBL4586213 | 0.78 | NOS3 (0.42) | PGRCYP2D6CYP2C9CCR5NOS3 | |
| SCHEMBL4586037 | 0.77 | PGR (0.42) | PGRCYP2D6CYP2C9CCR5 | |
| SCHEMBL4236825 | 0.76 | CCR5 (0.57) | CCR5KCNH2 | |
| SCHEMBL4587113 | 0.76 | CCR5 (0.57) | PGRCYP2D6CYP2C9OPRM1OPRD1 | |
| SCHEMBL4242973 | 0.76 | CCR5 (0.53) | PGRCYP2D6CYP2C9CCR5KCNH2 |
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 |