Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22779777 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRHDAC1HDAC6TRPA1 | |
| SCHEMBL28193732 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX5PTGS1PTGS2 | |
| SCHEMBL28221420 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTRPA1TUBB1PTGS2 | |
| SCHEMBL28235567 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TSHR | |
| SCHEMBL4547667 | 0.73 | HDAC1 (0.40) | ALDH1A1TSHRHDAC1HDAC6TUBB1 | |
| SCHEMBL29004146 | 0.72 | ALDH1A1 (0.54) | ALDH1A1TSHRHDAC6TRPA1ALOX5 | |
| SCHEMBL13125479 | 0.72 | GAA (0.49) | ALDH1A1HDAC1HDAC6TUBB1ALOX5 | |
| SCHEMBL3546070 | 0.71 | ALDH1A1 (0.63) | ALDH1A1TSHRTRPA1PTGS2 | |
| SCHEMBL3546068 | 0.71 | ALDH1A1 (0.63) | ALDH1A1TSHRTRPA1PTGS2 | |
| SCHEMBL13458529 | 0.71 | ALDH1A1 (0.63) | ALDH1A1TSHRTRPA1PTGS2 |
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-2018129556-A1 | COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS | ARDELYX, INC. (US) | 2018-07-12 | — | — | WO | disclosed |