Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.41 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.39 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | WDR5 | P61964 | 3/20 | 0.36 |
| ▸ | ATP4A | P20648 | 2/20 | 0.36 |
| ▸ | ATP4B | P51164 | 2/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.36 |
| ▸ | BRS3 | P32247 | 2/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.36 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.36 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.36 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1160150 | 0.90 | AGXT (0.64) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL29546790 | 0.90 | AGXT (0.64) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| Hydrochloric Acid SCHEMBL311423 | 0.88 | AGXT (0.62) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| Hydrochloric Acid SCHEMBL29385728 | 0.88 | AGXT (0.62) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL29892728 | 0.88 | AGXT (0.62) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL3802902 | 0.85 | AGXT (0.54) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| Hydrochloric Acid SCHEMBL8063817 | 0.82 | AGXT (0.55) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL2629580 | 0.79 | AGXT (0.46) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL3804816 | 0.78 | AGXT (0.55) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL27278545 | 0.77 | AGXT (0.45) | AGXTHSP90AA1TRAP1HSP90AB1HSP90B1 |
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-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |