Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.41 |
| ▸ | RELA | Q04206 | 4/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL570801 | 0.84 | GAA (0.54) | GAANFKB1NFKB2RELABTK | |
| Ethoxycarbonyl Group SCHEMBL28145185 | 0.84 | BTK (0.55) | GAABTKEPHX2CTSKKMT2A | |
| Ethoxycarbonyl Group SCHEMBL28251997 | 0.82 | CTSK (0.44) | GAANFKB1NFKB2RELABTK | |
| SCHEMBL28252751 | 0.81 | KMT2A (0.50) | GAANFKB1NFKB2RELAEPHX2 | |
| Ethoxycarbonyl Group SCHEMBL27966494 | 0.81 | BTK (0.39) | GAANFKB1NFKB2RELABTK | |
| Ethoxycarbonyl Group SCHEMBL27653498 | 0.79 | MAOB (0.40) | GAANFKB1NFKB2RELABTK | |
| Ethoxycarbonyl Group SCHEMBL27819062 | 0.79 | BTK (0.40) | GAANFKB1NFKB2RELABTK | |
| Ethoxycarbonyl Group SCHEMBL28252152 | 0.79 | BTK (0.40) | GAANFKB1NFKB2RELABTK | |
| Ethoxycarbonyl Group SCHEMBL27819345 | 0.79 | BTK (0.46) | NFKB1NFKB2RELABTKCTSK | |
| SCHEMBL31246142 | 0.78 | BTK (0.53) | GAANFKB1NFKB2RELABTK |
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-108794422-A | Heterocycle compound as PD-L1 inhibitor | 南京圣和药业股份有限公司 | 2018-11-13 | — | — | CN | disclosed |