Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 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 | |
|---|---|---|---|---|
| SCHEMBL7687718 | 1.00 | CCR5 (0.50) | CCR5HSD11B1DRD2NPC1RAB9A | |
| SCHEMBL7689311 | 0.96 | CCR5 (0.49) | CCR5HSD11B1DRD2NPC1RAB9A | |
| SCHEMBL7689309 | 0.96 | CCR5 (0.49) | CCR5HSD11B1DRD2NPC1RAB9A | |
| SCHEMBL7658454 | 0.86 | CCR5 (0.49) | CCR5HSD11B1DRD2NPC1RAB9A | |
| SCHEMBL7835196 | 0.85 | CCR5 (0.71) | CCR5 | |
| SCHEMBL7687829 | 0.84 | CCR5 (0.52) | CCR5HSD11B1DRD2CCR2 | |
| SCHEMBL7687830 | 0.84 | CCR5 (0.52) | CCR5HSD11B1DRD2CCR2 | |
| SCHEMBL7871243 | 0.82 | CCR5 (0.54) | CCR5HSD11B1 | |
| SCHEMBL7871240 | 0.82 | CCR5 (0.54) | CCR5HSD11B1 | |
| SCHEMBL7863124 | 0.82 | CCR5 (0.60) | CCR5HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | claimed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | claimed |
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |