Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL31064372 | 0.85 | MAPT (0.43) | MAPTRORCESR2NR1H2NAMPT | |
| SCHEMBL14101192 | 0.83 | MAPT (0.43) | MAPTRORCESR2NR1H2NAMPT | |
| SCHEMBL31064210 | 0.82 | MAPT (0.46) | MAPTRORCESR2NR1H2NAMPT | |
| SCHEMBL14101075 | 0.82 | TGFBR1 (0.42) | MAPTRORCESR2NR1H2NAMPT | |
| SCHEMBL25251450 | 0.80 | ESR2 (0.44) | ESR2NR1H2NAMPTGPR119HDAC1 | |
| SCHEMBL30487370 | 0.80 | ESR2 (0.44) | ESR2NR1H2NAMPTGPR119HDAC1 | |
| SCHEMBL28771231 | 0.76 | FFAR4 (0.40) | MAPTRORCGPR119STSJAK2 | |
| SCHEMBL24326703 | 0.75 | ESR2 (0.43) | RORCESR2NR1H2NAMPTGPR119 | |
| SCHEMBL19329064 | 0.74 | PTPN1 (0.43) | NR1H2NAMPTTACR1 | |
| SCHEMBL38652795 | 0.74 | HDAC1 (0.47) | RORCESR2NR1H2NAMPTGPR119 |
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 |