Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 9/20 | 0.34 |
| ▸ | BACE1 | P56817 | 7/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | CCKAR | P32238 | 1/20 | 0.32 |
| ▸ | CCKBR | P32239 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25760377 | 0.88 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL20264341 | 0.87 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26962099 | 0.86 | GAA (0.44) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL20287567 | 0.86 | GAA (0.39) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL25759562 | 0.83 | GAA (0.42) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL29796701 | 0.82 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL29796990 | 0.82 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL25761124 | 0.82 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26962527 | 0.82 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26961700 | 0.82 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA |
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-2023119210-A1 | NOVEL COMPOUND AS RIPK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 제일약품주식회사 | 2023-06-29 | — | — | WO | disclosed |