Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 20/20 | 0.77 |
| ▸ | CD274 | Q9NZQ7 | 20/20 | 0.77 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22758040 | 0.95 | PDCD1 (0.80) | PDCD1CD274HDAC6 | |
| SCHEMBL21621614 | 0.86 | PDCD1 (0.88) | PDCD1CD274 | |
| SCHEMBL18747532 | 0.85 | CD274 (0.68) | PDCD1CD274 | |
| SCHEMBL18729141 | 0.85 | CD274 (0.70) | PDCD1CD274 | |
| SCHEMBL22757792 | 0.84 | CD274 (0.52) | PDCD1CD274 | |
| SCHEMBL20539642 | 0.82 | CD274 (0.77) | PDCD1CD274 | |
| SCHEMBL23949445 | 0.82 | CD274 (0.67) | PDCD1CD274 | |
| SCHEMBL22748667 | 0.81 | PDCD1 (0.61) | PDCD1CD274HDAC6 | |
| SCHEMBL22748669 | 0.81 | PDCD1 (0.61) | PDCD1CD274HDAC6 | |
| SCHEMBL17161408 | 0.81 | CD274 (0.76) | PDCD1CD274HDAC6 |
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-2020244518-A1 | COMPOUND WITH BENZYLOXY AROMATIC RING STRUCTURE, PREPARATION METHOD AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-10 | — | — | WO | disclosed |