Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | MAPT | P10636 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30397188 | 1.00 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EGAACASP1 | |
| SCHEMBL398001 | 1.00 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EGAACASP1 | |
| SCHEMBL9367414 | 0.84 | GAA (0.40) | ALDH1A1MAPTKDM4EGAACASP1 | |
| SCHEMBL30234869 | 0.83 | TSHR (0.43) | ALDH1A1KDM4EGAAUSP2POLB | |
| SCHEMBL9224896 | 0.83 | TSHR (0.43) | ALDH1A1KDM4EGAAUSP2POLB | |
| SCHEMBL6310104 | 0.83 | GAA (0.39) | ALDH1A1MAPTKDM4EGAACASP1 | |
| SCHEMBL31533760 | 0.83 | GAA (0.39) | ALDH1A1MAPTKDM4EGAACASP1 | |
| SCHEMBL10498338 | 0.82 | MAPT (0.46) | ALDH1A1MAPTKDM4EGAACASP1 | |
| SCHEMBL7779423 | 0.81 | EPHX2 (0.50) | GAAPOLBTSHRGLAPDE2A | |
| SCHEMBL945792 | 0.81 | GAA (0.57) | ALDH1A1MAPTKDM4EGAACASP1 |
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-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |