Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | MAN2B1 | O00754 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22859904 | 0.90 | CTSK (0.46) | CTSKGAAKMT2AL3MBTL1BTK | |
| SCHEMBL28376416 | 0.78 | CTSK (0.40) | CTSKGAAL3MBTL1BTKNFKB1 | |
| SCHEMBL28851225 | 0.74 | CTSK (0.46) | CTSKGAAKMT2AL3MBTL1PIK3R1 | |
| SCHEMBL29066432 | 0.74 | CTSK (0.46) | CTSKGAAKMT2AL3MBTL1PIK3R1 | |
| SCHEMBL10102987 | 0.74 | CTSK (0.46) | CTSKGAAKMT2AL3MBTL1PIK3R1 | |
| SCHEMBL2397802 | 0.74 | RECQL (0.50) | VNN1 | |
| SCHEMBL1116704 | 0.73 | BTK (0.54) | CTSKGAAKMT2AL3MBTL1BTK | |
| SCHEMBL962474 | 0.73 | BTK (0.54) | CTSKGAAKMT2AL3MBTL1BTK | |
| SCHEMBL29676411 | 0.73 | BTK (0.54) | CTSKGAAKMT2AL3MBTL1BTK | |
| SCHEMBL20883087 | 0.73 | KMT2A (0.44) | CTSKGAAKMT2AL3MBTL1PIK3R1 |
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-2021000933-A1 | PYRIMIDINONE COMPOUNDS AS CHYMASE INHIBITORS AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2021-01-07 | — | — | WO | disclosed |