Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.44 |
| ▸ | NAMPT | P43490 | 3/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8808902 | 0.85 | ITGA4 (0.47) | RAB9AITGA4ITGB7NAMPTCYP3A4 | |
| SCHEMBL23778929 | 0.77 | RAB9A (0.48) | RAB9ANAMPTCYP3A4CYP17A1CYP19A1 | |
| SCHEMBL14101106 | 0.77 | GPR119 (0.37) | RAB9AITGA4ITGB7HDAC4CYP17A1 | |
| SCHEMBL479747 | 0.72 | NAMPT (0.58) | RAB9ANAMPTALDH1A1HTT | |
| SCHEMBL14101112 | 0.71 | OPRM1 (0.47) | ITGA4ITGB7HDAC4ALDH1A1 | |
| SCHEMBL14101118 | 0.71 | ALOX15 (0.53) | RAB9AITGA4ITGB7NAMPTCYP17A1 | |
| SCHEMBL19531854 | 0.70 | ALDH1A1 (0.43) | ITGA4ITGB7IDO1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8809179 | 0.69 | CYP17A1 (0.40) | ITGA4ITGB7CYP17A1CYP19A1 | |
| SCHEMBL8809962 | 0.68 | OPRM1 (0.51) | HDAC4ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL5874210 | 0.68 | NAMPT (0.46) | NAMPTGPR119SMN1; SMN2 |
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 |