Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31246211 | 0.87 | BTK (0.51) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL18696405 | 0.86 | BTK (0.54) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL31246148 | 0.86 | BTK (0.54) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL18617791 | 0.86 | BTK (0.54) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL16748085 | 0.86 | BTK (0.54) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL26985685 | 0.86 | BTK (0.54) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL31246132 | 0.86 | BTK (0.54) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL11901905 | 0.85 | BTK (0.53) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL11901221 | 0.85 | BTK (0.53) | BTKCTSKGAAKMT2AL3MBTL1 | |
| SCHEMBL11901219 | 0.85 | BTK (0.53) | BTKCTSKGAAKMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106188027-B | Aromatic heterocyclic derivative and application thereof in medicine | 广东东阳光药业有限公司 | 2020-10-20 | — | — | CN | disclosed |