Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30752205 | 0.87 | NR1H2 (0.52) | NR1H2ESR2ADORA1MAPTKDM4E | |
| SCHEMBL27042717 | 0.87 | NR1H2 (0.52) | NR1H2ESR2ADORA1MAPTKDM4E | |
| SCHEMBL13650434 | 0.84 | ESR2 (0.48) | NR1H2ESR2ADORA1MAPTKDM4E | |
| SCHEMBL27042578 | 0.83 | NR1H2 (0.57) | NR1H2ESR2ADORA1MAPTKDM4E | |
| SCHEMBL30752212 | 0.83 | NR1H2 (0.57) | NR1H2ESR2ADORA1MAPTKDM4E | |
| SCHEMBL13645895 | 0.83 | ESR2 (0.47) | NR1H2ESR2ADORA1MAPTSTS | |
| SCHEMBL14101081 | 0.81 | ESR1 (0.49) | ESR2KDM4EABHD6 | |
| SCHEMBL394214 | 0.80 | NR1H2 (0.60) | NR1H2ESR2ADORA1MAPTKDM4E | |
| SCHEMBL29526229 | 0.80 | NR1H2 (0.60) | NR1H2ESR2ADORA1MAPTKDM4E | |
| SCHEMBL19684693 | 0.80 | ESR2 (0.54) | NR1H2ESR2ADORA1MAPTKDM4E |
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 1 patent. 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 |