Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.44 |
| ▸ | OGFRL1 | Q5TC84 | 13/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.41 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL3525459 | 0.93 | CCR5 (0.49) | CCR5OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL6158178 | 0.90 | CCR5 (0.47) | CCR5OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL3523464 | 0.84 | OGFRL1 (0.45) | CCR5OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL13543068 | 0.84 | OGFRL1 (0.45) | CCR5OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL3525118 | 0.82 | CCR5 (0.51) | CCR5OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL3525096 | 0.80 | CCR5 (0.49) | CCR5OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL13543532 | 0.78 | CCR5 (0.49) | CCR5OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL13543536 | 0.78 | CCR5 (0.48) | CCR5OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL853681 | 0.73 | OGFRL1 (0.69) | OGFRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL21548005 | 0.73 | OGFRL1 (0.69) | OGFRL1OPRM1OPRK1OPRD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569646-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004054974-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |