Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.68 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | TLR2 | O60603 | 1/20 | 0.46 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7829652 | 0.82 | CCR5 (0.69) | CCR5 | |
| SCHEMBL7839226 | 0.81 | CCR5 (1.00) | CCR5 | |
| SCHEMBL4099146 | 0.80 | CCR5 (0.48) | CCR5 | |
| SCHEMBL7826402 | 0.79 | CCR5 (0.56) | CCR5P2RX7RAB9ARXFP1CYP2C9 | |
| SCHEMBL4108008 | 0.77 | CCR5 (0.46) | CCR5 | |
| SCHEMBL7882945 | 0.77 | CCR5 (0.46) | CCR5 | |
| SCHEMBL13104864 | 0.75 | NMT1 (0.50) | CCR5HTR2B | |
| SCHEMBL4113345 | 0.74 | CCR5 (0.51) | CCR5P2RX7 | |
| SCHEMBL7836168 | 0.74 | CCR5 (0.86) | CCR5 | |
| SCHEMBL4108855 | 0.74 | KDM1A (0.48) | CCR5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1009405-A4 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2001-05-09 | — | — | EP | disclosed |
| US-6166037-A | Pyrrolidine and piperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-1009405-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999009984-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |