Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 11/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.53 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.53 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL22806915 | 1.00 | ADORA3 (0.64) | ADORA3ADORA1TLR8TLR7KDM4E | |
| SCHEMBL1895125 | 0.92 | ADORA3 (0.67) | ADORA3ADORA1TLR8TLR7KDM4E | |
| SCHEMBL728930 | 0.86 | ADORA3 (0.71) | ADORA3ADORA1KDM4EALDH1A1HPGD | |
| SCHEMBL29314496 | 0.79 | ADORA3 (0.62) | ADORA3ADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL31060958 | 0.78 | ADORA3 (1.00) | ADORA3ADORA1KDM4EALDH1A1HPGD | |
| SCHEMBL14323629 | 0.74 | ADORA3 (0.76) | ADORA3ADORA1KDM4EALDH1A1 | |
| SCHEMBL730877 | 0.72 | ADORA3 (0.58) | ADORA3ADORA1KDM4EALDH1A1HPGD | |
| SCHEMBL728937 | 0.71 | ADORA3 (0.80) | ADORA3ADORA1 | |
| SCHEMBL22806917 | 0.69 | TLR8 (0.72) | ADORA3ADORA1TLR8TLR7KDM4E | |
| SCHEMBL29787346 | 0.69 | TLR8 (0.72) | ADORA3ADORA1TLR8TLR7KDM4E |
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-114746420-A | 1- (4- (aminomethyl) benzyl) -2-butyl-2H-pyrazolo [3,4-c ] quinolin-4-amine derivatives as Toll-like receptor (TLR)7/8 agonists and related compounds and antibody drug conjugates thereof for cancer therapy and diagnosis | 苏特罗生物制药公司 | 2022-07-12 | — | — | CN | disclosed |