Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.33 |
| ▸ | ATP4A | P20648 | 2/20 | 0.33 |
| ▸ | ATP4B | P51164 | 2/20 | 0.33 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.33 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.33 |
| ▸ | ENGASE | Q8NFI3 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29382857 | 0.85 | AGXT (0.66) | AGXTHSP90AA1HSP90AB1PDE10ATRAP1 | |
| SCHEMBL1060082 | 0.85 | AGXT (0.66) | AGXTHSP90AA1HSP90AB1PDE10ATRAP1 | |
| Hydrochloric Acid SCHEMBL3247161 | 0.83 | AGXT (0.64) | AGXTHSP90AA1HSP90AB1PDE10ATRAP1 | |
| SCHEMBL8500701 | 0.81 | AGXT (0.45) | AGXTHSP90AA1HSP90AB1ENPP2PDE10A | |
| Hydrochloric Acid SCHEMBL9784655 | 0.80 | HSP90AA1 (0.45) | AGXTHSP90AA1HSP90AB1ENPP2PDE10A | |
| SCHEMBL3182871 | 0.80 | AGXT (0.44) | AGXTHSP90AA1HSP90AB1PDE10ATRAP1 | |
| SCHEMBL9793484 | 0.80 | AGXT (0.44) | AGXTHSP90AA1HSP90AB1PDE10ATRAP1 | |
| SCHEMBL28643701 | 0.80 | SARM1 (0.47) | AGXTHSP90AA1HSP90AB1PDE10ATRAP1 | |
| SCHEMBL9784656 | 0.77 | AGXT (0.45) | AGXTHSP90AA1HSP90AB1ENPP2KMT2A | |
| SCHEMBL9835758 | 0.77 | AGXT (0.42) | AGXTHSP90AA1HSP90AB1PDE10ATRAP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5616713-A | Process of preparing 2-hydroxymethyl-3,5-dimethyl-4-methoxypyridine | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 1997-04-01 | — | — | US | disclosed |
| US-4981861-A | ANTIULCER | HOFFMANN-LA ROCHE INC. (US) | 1991-01-01 | — | — | US | disclosed |
| US-4634710-A | ANTIULCER, ANTISECRETORY | HOFFMANN-LA ROCHE INC. (US) | 1987-01-06 | — | — | US | disclosed |