Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.39 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6702810 | 0.80 | HDAC1 (0.38) | CA12CA1CA9PSMD10ALDH1A1 | |
| SCHEMBL6703012 | 0.77 | S1PR1 (0.36) | CA12CA1CA9ALDH1A1KEAP1 | |
| SCHEMBL8198987 | 0.76 | HSD11B1 (0.42) | CA12CA1CA9PSMD10ALDH1A1 | |
| SCHEMBL27247343 | 0.76 | CA12 (0.40) | CA12CA1CA9PSMD10ALDH1A1 | |
| SCHEMBL27602739 | 0.76 | CA12 (0.46) | CA12CA1CA9PSMD10ALDH1A1 | |
| SCHEMBL6800670 | 0.75 | KMT2A (0.56) | ALDH1A1MAPTSTAT3TP53 | |
| SCHEMBL241884 | 0.75 | CA1 (0.52) | CA12CA1CA9ALDH1A1CYP2C19 | |
| SCHEMBL18289524 | 0.74 | CA1 (0.50) | CA12CA1CA9ENPP1ALDH1A1 | |
| SCHEMBL6906905 | 0.74 | CA1 (0.50) | CA12CA1CA9ENPP1ALDH1A1 | |
| SCHEMBL1607077 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPTPOLB |
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-2010093191-A2 | NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2010-08-19 | — | — | WO | disclosed |