Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16572379 | 0.74 | HSD11B1 (0.38) | ALDH1A1MAPTKDM4EPOLBGAA | |
| SCHEMBL11616927 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EPOLBGAA | |
| SCHEMBL11618552 | 0.73 | ALDH1A1 (0.36) | ALDH1A1MAPTKDM4EPOLBGAA | |
| SCHEMBL4580954 | 0.70 | GAA (0.43) | ALDH1A1MAPTKDM4EPOLBGAA | |
| SCHEMBL1765776 | 0.70 | PTGES (0.35) | ALDH1A1MAPTKDM4EPOLBGAA | |
| SCHEMBL4148665 | 0.70 | ALDH1A1 (0.36) | ALDH1A1MAPTKDM4EGAAMEN1 | |
| SCHEMBL15418543 | 0.70 | HSD17B10 (0.35) | ALDH1A1MAPTKDM4EPOLBGAA | |
| SCHEMBL10932007 | 0.68 | ALDH1A1 (0.33) | ALDH1A1MAPTKDM4EPOLBGAA | |
| SCHEMBL22715989 | 0.67 | — | — | |
| SCHEMBL13857908 | 0.67 | ALDH1A1 (0.39) | ALDH1A1MAPTKDM4EPOLBGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011095576-A1 | COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-11 | — | — | WO | disclosed |
| WO-2011094953-A1 | COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-11 | — | — | WO | disclosed |