Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 5/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14969512 | 0.91 | EZH2 (0.39) | KLKB1MAP4K1 | |
| SCHEMBL14967276 | 0.87 | P2RX3 (0.37) | PDE4APDE4BPDE4CPDE4DKLKB1 | |
| SCHEMBL14966830 | 0.85 | KLKB1 (0.44) | ALDH1A1KDM4EKLKB1MAP4K1NR1H4 | |
| SCHEMBL14966453 | 0.82 | NR1H4 (0.39) | MAPTEPHX2KLKB1MAP4K1NR1H4 | |
| SCHEMBL14966634 | 0.81 | TSHR (0.42) | ALDH1A1KLKB1MAP4K1NR1H4 | |
| SCHEMBL14966673 | 0.81 | EED (0.44) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL14967199 | 0.79 | CCR5 (0.50) | KLKB1HDAC1HDAC3 | |
| SCHEMBL14966659 | 0.79 | LMNA (0.48) | MAPTKLKB1POLB | |
| SCHEMBL14966778 | 0.79 | NPC1 (0.49) | ALDH1A1MAPTPOLB | |
| SCHEMBL14966620 | 0.79 | KLKB1 (0.41) | ALDH1A1MAPTKLKB1MAP4K1NR1H4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2780014-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013075083-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS (US) | 2013-05-23 | — | — | WO | disclosed |