Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | MERTK | Q12866 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5359582 | 0.84 | ESR1 (0.65) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL5077828 | 0.83 | NR1H2 (0.62) | ESR2HDAC6HDAC8ABHD6MAPK1 | |
| SCHEMBL14898447 | 0.81 | MAOA (0.45) | MLYCDMAPK1 | |
| SCHEMBL4704441 | 0.81 | ESR1 (0.68) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL31670429 | 0.81 | ESR1 (0.68) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL4224828 | 0.81 | HDAC6 (0.46) | ESR1ESR2HDAC6HDAC8ABHD6 | |
| SCHEMBL14101079 | 0.80 | ESR1 (0.70) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL8283285 | 0.79 | ESR2 (0.70) | ESR1ESR2HDAC6HDAC8ABHD6 | |
| SCHEMBL1365223 | 0.78 | ESR2 (0.63) | ESR1ESR2HDAC6HDAC8ABHD6 | |
| SCHEMBL3292015 | 0.78 | ESR1 (0.64) | ESR1ESR2HDAC6HDAC8PKM |
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 |