Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.47 |
| ▸ | MME | P08473 | 5/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8934132 | 0.81 | TGFBR1 (0.41) | TGFBR1MMEALDH1A1MAPT | |
| SCHEMBL21451346 | 0.79 | MME (0.46) | TGFBR1MMEFOLH1NAALAD2ALDH1A1 | |
| SCHEMBL21451281 | 0.79 | MME (0.46) | TGFBR1MMEFOLH1NAALAD2ALDH1A1 | |
| SCHEMBL23052781 | 0.79 | MME (0.46) | TGFBR1MMEFOLH1NAALAD2ALDH1A1 | |
| SCHEMBL23052826 | 0.76 | TGFBR1 (0.41) | TGFBR1MMEFOLH1NAALAD2ALDH1A1 | |
| SCHEMBL30925323 | 0.73 | TGFBR1 (0.39) | TGFBR1MMEFOLH1NAALAD2ALDH1A1 | |
| SCHEMBL5712806 | 0.71 | TGFBR1 (0.42) | TGFBR1MMEALDH1A1LMNA | |
| SCHEMBL5712807 | 0.71 | TGFBR1 (0.42) | TGFBR1MMEALDH1A1LMNA | |
| SCHEMBL1960483 | 0.70 | — | — | |
| SCHEMBL19849535 | 0.70 | — | — |
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-2020192570-A1 | SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME | 上海再极医药科技有限公司 | 2020-10-01 | — | — | WO | disclosed |