Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRE11 | P49959 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.55 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | STAT3 | P40763 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | GCK | P35557 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2752637 | 0.85 | POLB (0.73) | ROCK2ROCK1ELOVL1POLBMAPT | |
| SCHEMBL5184586 | 0.85 | GSTO1 (0.57) | ROCK2ROCK1ELOVL1POLBMAPT | |
| SCHEMBL10253197 | 0.80 | ROCK1 (0.71) | ROCK2ROCK1POLB | |
| SCHEMBL28519111 | 0.80 | HDAC6 (0.59) | MRE11ELOVL1MAPTADORA3GSTO1 | |
| SCHEMBL2754064 | 0.79 | ROCK2 (0.62) | ROCK2ROCK1ELOVL1MAPTADORA3 | |
| SCHEMBL1325353 | 0.78 | MAPT (0.68) | ELOVL1POLBMAPTADORA3GSTO1 | |
| SCHEMBL21241891 | 0.78 | HDAC6 (0.64) | MRE11ELOVL1POLBMAPTADORA3 | |
| SCHEMBL21224358 | 0.78 | HDAC6 (0.64) | MRE11ROCK2ROCK1ELOVL1MAPT | |
| SCHEMBL21241893 | 0.78 | HDAC6 (0.64) | MRE11ELOVL1POLBMAPTADORA3 | |
| SCHEMBL21224359 | 0.78 | HDAC6 (0.64) | MRE11ROCK2ROCK1ELOVL1MAPT |
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-1758920-A1 | BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS | MPEX PHARMACEUTICALS, INC. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005113579-A1 | BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS | MPEX PHARMACEUTICALS, INC. (US) | 2005-12-01 | — | — | WO | disclosed |