Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL6646157 | 0.87 | PARP1 (0.50) | KDM4EALDH1A1PARP1LMNAHPGD | |
| SCHEMBL4234216 | 0.81 | KDM4E (0.68) | KDM4EBRD3ALDH1A1GAAGLA | |
| SCHEMBL6643889 | 0.80 | ALDH1A1 (0.68) | KDM4EALDH1A1HTTPARP1LMNA | |
| SCHEMBL2550266 | 0.80 | PARP1 (0.67) | KDM4EALDH1A1GAAGLAMAPKAPK2 | |
| SCHEMBL6646914 | 0.80 | KDM4E (0.51) | KDM4EPARP1CCNB2CDK1CCNB1 | |
| SCHEMBL31154617 | 0.77 | PARP1 (0.54) | KDM4EALDH1A1GAAPARP1LMNA | |
| SCHEMBL2553660 | 0.76 | PARP1 (0.69) | KDM4EALDH1A1MAPKAPK2PARP1LMNA | |
| SCHEMBL6826753 | 0.76 | MAPT (0.60) | KDM4EALDH1A1LMNAMAPTBAZ2B | |
| SCHEMBL4668622 | 0.75 | MEN1 (0.66) | KDM4EBRD3ALDH1A1GAAGLA | |
| SCHEMBL30273084 | 0.75 | MEN1 (0.66) | KDM4EBRD3ALDH1A1GAAGLA |
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-1054869-B1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6391887-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |