Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.42 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL3975202 | 0.87 | PARP10 (0.42) | PARP10MAOBPARP15PARP14PTGER1 | |
| SCHEMBL3974889 | 0.83 | MKNK1 (0.47) | PARP10RAB9AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL3972289 | 0.76 | MKNK1 (0.46) | PARP10RAB9AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL1789903 | 0.72 | PTGS2 (0.46) | PARP10MAOBPARP15PARP14FEN1 | |
| SCHEMBL3973587 | 0.70 | MKNK1 (0.48) | PARP10RAB9AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL1785895 | 0.70 | FFAR4 (0.51) | PARP10MAOBPARP15PARP14 | |
| SCHEMBL3973609 | 0.69 | MKNK1 (0.47) | PARP10RAB9AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL17485155 | 0.69 | AR (0.51) | PARP10PTGER1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL27873075 | 0.68 | MAPT (0.58) | NPC1RAB9AL3MBTL1ALDH1A1MAPT | |
| SCHEMBL11541429 | 0.67 | L3MBTL1 (0.49) | RAB9AL3MBTL1ALDH1A1MAPTPDK2 |
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-2054383-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |