Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL397393 | 0.83 | CLEC4M (0.52) | KDM4EALDH1A1HPGDMAPTMEN1 | |
| SCHEMBL396592 | 0.81 | KDM4E (0.66) | KDM4EGAAALDH1A1HPGDNPSR1 | |
| SCHEMBL10862234 | 0.77 | KDM4E (0.76) | KDM4EGAAALDH1A1HPGDNPSR1 | |
| SCHEMBL9829849 | 0.75 | CLEC4M (0.56) | KDM4EALDH1A1HPGDMAPTMEN1 | |
| SCHEMBL2035901 | 0.72 | CLEC4M (0.55) | KDM4EALDH1A1HPGDMAPTMEN1 | |
| SCHEMBL10860624 | 0.70 | MEN1 (0.60) | KDM4EGAAALDH1A1NPSR1LMNA | |
| SCHEMBL2488117 | 0.70 | CLEC4M (0.53) | KDM4EALDH1A1HPGDMAPTMEN1 | |
| SCHEMBL7291074 | 0.69 | CLEC4M (0.50) | KDM4EGAALMNAMAPTMEN1 | |
| SCHEMBL2970561 | 0.69 | MEN1 (0.75) | KDM4EGAAALDH1A1NPSR1LMNA | |
| SCHEMBL62162 | 0.69 | CLEC4M (0.52) | KDM4EALDH1A1HPGDMAPTMEN1 |
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 |