Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.52 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3693840 | 0.90 | KDM4E (0.52) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3692313 | 0.86 | OPRM1 (0.53) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL13773093 | 0.85 | S1PR2 (0.54) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3692559 | 0.85 | S1PR2 (0.54) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3689803 | 0.84 | OPRM1 (0.51) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3694884 | 0.83 | OPRM1 (0.54) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3694672 | 0.83 | S1PR2 (0.52) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3697283 | 0.83 | S1PR2 (0.52) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3693831 | 0.82 | KDM4E (0.50) | KDM4EHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL12018423 | 0.82 | KDM4E (0.52) | KDM4EHDAC3HDAC1HDAC2HDAC8 |
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-1562595-B1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-05-21 | — | — | EP | disclosed |