Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.76 |
| ▸ | HTT | P42858 | 1/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | CNR2 | P34972 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9259706 | 1.00 | ALDH1A1 (0.76) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL8357801 | 0.87 | KDM4E (0.64) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL8362055 | 0.87 | ALDH1A1 (0.61) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL8357959 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL8361521 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL9536349 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL9538405 | 0.85 | ALDH1A1 (0.60) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL25721191 | 0.83 | KDM4E (0.58) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL1061973 | 0.81 | KDM4E (1.00) | ALDH1A1HTTL3MBTL1KDM4ELMNA | |
| SCHEMBL1056609 | 0.81 | L3MBTL1 (0.93) | ALDH1A1HTTL3MBTL1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5942522-A | 1-BENZYL-3-ETHOXYCARBONYL-4-DIMETHYLAMINOETHOXY-6-METHYL-2-(1H) -QUINOLINONE; ANTIVIRAL AGAINST DNA CONTAINING VIRUSES, SUCH AS HERPES GROUP VIRUSES | SCHERING CORPORATION (US) | 1999-08-24 | — | — | US | disclosed |
| EP-0549729-B1 | ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS | SCHERING CORP (US) | 1997-12-17 | — | — | EP | disclosed |
| US-5412104-A | Hypotensive and antiviral agents | SCHERING CORPORATION (US) | 1995-05-02 | — | — | US | disclosed |