Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 3/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8808488 | 0.84 | AKT1 (0.37) | GPR119EPHX2VNN1MEN1NPC1 | |
| SCHEMBL14101094 | 0.77 | RAB9A (0.44) | GPR119HDAC4RAB9AITGA4ITGB7 | |
| SCHEMBL4923232 | 0.74 | AKT1 (0.46) | GPR119EPHX2VNN1MEN1NPC1 | |
| SCHEMBL24608781 | 0.72 | HSD11B1 (0.42) | GPR119VNN1HSD11B1ITGA4ITGB7 | |
| SCHEMBL2390889 | 0.72 | AKT1 (0.42) | GPR119EPHX2VNN1MEN1NPC1 | |
| SCHEMBL25195160 | 0.72 | AKT1 (0.40) | GPR119EPHX2VNN1MEN1NPC1 | |
| SCHEMBL14100745 | 0.70 | OPRM1 (0.47) | HDAC4NPC1RAB9AHSD11B1 | |
| SCHEMBL26451965 | 0.70 | HSD17B10 (0.39) | HDAC4GAAHSD11B1ITGA4ITGB7 | |
| SCHEMBL14599265 | 0.70 | ALOX15 (0.48) | EPHX2KMT2AAKT1KDM1AMAOB | |
| SCHEMBL6724706 | 0.69 | OPRM1 (0.42) | GPR119VNN1MEN1KMT2AHSD11B1 |
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 |