Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.34 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 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 | |
|---|---|---|---|---|
| SCHEMBL12818427 | 0.85 | ESR1 (0.50) | ESR1ESR2PKMHIF1AMERTK | |
| SCHEMBL8189637 | 0.84 | ESR1 (0.49) | ESR1ESR2PKMABHD6EP300 | |
| SCHEMBL13645825 | 0.84 | ESR1 (0.52) | ESR1ESR2PKMHIF1AMERTK | |
| SCHEMBL18255074 | 0.84 | ESR1 (0.52) | ESR1ESR2PKMHIF1AMERTK | |
| SCHEMBL13645861 | 0.82 | ESR1 (0.47) | ESR1ESR2PKMHIF1AMERTK | |
| SCHEMBL14101032 | 0.81 | NR1H2 (0.55) | ESR2ABHD6KDM4E | |
| SCHEMBL14100752 | 0.81 | ESR1 (0.46) | ESR1ESR2PKMHIF1AMERTK | |
| SCHEMBL14599143 | 0.80 | ESR1 (0.45) | ESR1ESR2PKMHIF1AMERTK | |
| SCHEMBL14599280 | 0.80 | ESR1 (0.47) | ESR1ESR2PKMHIF1AMERTK | |
| SCHEMBL5874044 | 0.78 | ESR1 (0.49) | ESR1ESR2PKMRBP4ABHD6 |
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 |