Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 12/20 | 0.57 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | F9 | P00740 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22758039 | 0.90 | FFAR1 (0.53) | CD274PDCD1MAOBNPC1RAB9A | |
| SCHEMBL20539163 | 0.78 | CD274 (0.46) | CD274PDCD1MAOBTDP1 | |
| SCHEMBL7710805 | 0.78 | PTGER4 (0.55) | CD274MAOB | |
| SCHEMBL18728146 | 0.77 | CD274 (0.56) | CD274PDCD1 | |
| SCHEMBL21359619 | 0.76 | CD274 (0.55) | CD274PDCD1MAOB | |
| SCHEMBL30335423 | 0.76 | CD274 (0.55) | CD274PDCD1MAOB | |
| SCHEMBL22757792 | 0.76 | CD274 (0.52) | CD274PDCD1NPC1RAB9ATDP1 | |
| SCHEMBL2199273 | 0.74 | APP (0.50) | MAOBNPC1RAB9ATDP1SMPD1 | |
| SCHEMBL16566279 | 0.73 | CD274 (1.00) | CD274 | |
| SCHEMBL12183014 | 0.72 | MAOB (0.73) | MAOBNPC1RAB9ATDP1SMPD1 |
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 |