Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 18/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.52 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22748737 | 0.93 | CD274 (0.56) | CD274PDCD1 | |
| SCHEMBL20539188 | 0.88 | CD274 (0.47) | CD274PDCD1NPC1RAB9ATDP1 | |
| SCHEMBL18728442 | 0.86 | CD274 (0.51) | CD274PDCD1ERN1 | |
| SCHEMBL28471282 | 0.84 | CD274 (0.49) | CD274PDCD1 | |
| SCHEMBL30335528 | 0.84 | CD274 (0.49) | CD274PDCD1 | |
| SCHEMBL22757795 | 0.84 | PDCD1 (0.77) | CD274PDCD1 | |
| SCHEMBL20721107 | 0.83 | CD274 (0.65) | CD274PDCD1 | |
| SCHEMBL19897846 | 0.82 | CD274 (0.54) | CD274PDCD1 | |
| SCHEMBL31166742 | 0.82 | TRIM24 (0.52) | ERN1NPC1RAB9ATDP1 | |
| SCHEMBL23078435 | 0.82 | ERN1 (0.43) | CD274PDCD1ERN1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112028870-B | Compound with benzyloxy aromatic ring structure, preparation method and application thereof | 中国科学院上海药物研究所 | 2021-11-05 | — | — | CN | disclosed |
| 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 |
| CN-112028870-A | Compound with benzyloxy aromatic ring structure, preparation method and application thereof | 中国科学院上海药物研究所 | 2020-12-04 | — | — | CN | disclosed |