Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL14169430 | 0.88 | GBA1 (0.35) | GBA1 | |
| SCHEMBL14169262 | 0.84 | GBA1 (0.33) | GBA1 | |
| SCHEMBL23689122 | 0.82 | NOS1 (0.40) | GBA1 | |
| SCHEMBL4453922 | 0.79 | — | — | |
| Acetic Acid SCHEMBL29257658 | 0.74 | ALOX5 (0.41) | GBA1 | |
| SCHEMBL25356371 | 0.74 | — | — | |
| SCHEMBL19043860 | 0.72 | — | — | |
| SCHEMBL21935392 | 0.72 | — | — | |
| SCHEMBL2198483 | 0.72 | — | — | |
| Nitric Acid SCHEMBL10346319 | 0.71 | EPHX1 (0.37) | GBA1 |
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-1501803-B1 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |