Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.42 |
| ▸ | RAF1 | P04049 | 4/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24131808 | 0.81 | HPGD (0.42) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL4147003 | 0.81 | HPGD (0.42) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL23012335 | 0.81 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL4781956 | 0.80 | RAF1 (0.42) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL21411362 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL12247516 | 0.80 | MAPT (0.58) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL10740064 | 0.80 | MAPK14 (0.62) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL4151548 | 0.79 | RAF1 (0.39) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL21411359 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL13425471 | 0.78 | RAF1 (0.65) | MAPK14RAF1MAPK13MAPK12MAPK11 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |