Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.79 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL398461 | 1.00 | GAA (0.79) | GAANPC1CYP3A4TSHRPTK2 | |
| SCHEMBL204719 | 0.89 | GAA (0.86) | GAANPC1CYP3A4TSHRPTK2 | |
| SCHEMBL64092 | 0.88 | GAA (1.00) | GAANPC1CYP3A4TSHRPTK2 | |
| Hydrochloric Acid SCHEMBL28016984 | 0.85 | GAA (0.92) | GAANPC1CYP3A4TSHRPTK2 | |
| SCHEMBL26746409 | 0.79 | GAA (0.69) | GAANPC1CYP3A4TSHRPTK2 | |
| SCHEMBL23716737 | 0.78 | GAA (0.58) | GAANPC1CYP3A4TSHRTP53 | |
| SCHEMBL6666210 | 0.78 | GAA (0.58) | GAANPC1CYP3A4TSHRPTK2 | |
| SCHEMBL454590 | 0.78 | TSHR (0.60) | GAANPC1CYP3A4TSHRTP53 | |
| SCHEMBL23974410 | 0.78 | GAA (0.58) | GAANPC1CYP3A4TSHRTP53 | |
| SCHEMBL15797869 | 0.78 | GAA (0.58) | GAANPC1CYP3A4TSHRTP53 |
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 |