Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3671285 | 0.86 | HSD11B1 (0.50) | OPRM1OPRL1HSD11B1SLC6A2SLC6A4 | |
| SCHEMBL29388865 | 0.86 | HSD11B1 (0.50) | OPRM1OPRL1HSD11B1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL21047312 | 0.84 | HSD11B1 (0.49) | OPRM1OPRL1HSD11B1SLC6A2SLC6A4 | |
| SCHEMBL1515554 | 0.83 | HSD11B1 (0.48) | OPRM1OPRL1HSD11B1SLC6A2SLC6A4 | |
| SCHEMBL8547420 | 0.81 | HSD11B1 (0.53) | OPRM1OPRL1HSD11B1HDAC4SLC6A2 | |
| SCHEMBL25193081 | 0.80 | OPRM1 (0.45) | OPRM1OPRL1HSD11B1SLC6A2SLC6A4 | |
| Phosphoric Acid SCHEMBL30852681 | 0.80 | HSD11B1 (0.46) | OPRM1OPRL1HSD11B1SLC6A2SLC6A4 | |
| Formic Acid SCHEMBL3655345 | 0.80 | HSD11B1 (0.46) | OPRM1OPRL1HSD11B1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL29842435 | 0.80 | HSD11B1 (0.52) | OPRM1OPRL1HSD11B1HDAC4SLC6A2 | |
| SCHEMBL8636435 | 0.79 | OPRM1 (0.44) | OPRM1OPRL1HSD11B1SLC6A2SLC6A4 |
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 |