Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 11/20 | 0.46 |
| ▸ | PRCP | P42785 | 5/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL5633684 | 0.91 | CCR5 (0.51) | CCR5PRCPCYP2D6OPRM1OPRD1 | |
| SCHEMBL5633692 | 0.91 | CCR5 (0.51) | CCR5PRCPCYP2D6OPRM1OPRD1 | |
| SCHEMBL5634122 | 0.90 | CCR5 (0.47) | CCR5PRCPCYP2D6OPRM1OPRD1 | |
| SCHEMBL5635080 | 0.89 | CCR5 (0.49) | CCR5PRCPCCR2KCNH2 | |
| SCHEMBL5633870 | 0.88 | CCR5 (0.60) | CCR5KCNH2 | |
| SCHEMBL14514104 | 0.87 | CCR5 (0.46) | CCR5PRCPCYP2D6OPRM1OPRD1 | |
| SCHEMBL5633685 | 0.86 | CCR5 (0.54) | CCR5KCNH2 | |
| SCHEMBL5633851 | 0.85 | CCR5 (0.52) | CCR5PRCPKCNH2 | |
| SCHEMBL14514107 | 0.83 | CCR5 (0.43) | CCR5PRCPCYP2D6OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL5634554 | 0.83 | CCR5 (0.42) | CCR5PRCPCYP2D6OPRM1OPRD1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | claimed |
| US-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-20010039026-A1 | Assay method | PFIZER INC. | 2001-11-08 | — | — | US | disclosed |
| EP-1118858-A2 | Assay method | Pfizer Limited (GB) | 2001-07-25 | — | — | EP | disclosed |