Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.69 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.60 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.56 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.56 |
| ▸ | NAMPT | P43490 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.44 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21326057 | 1.00 | ESR2 (0.69) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL29587827 | 0.95 | NR1H2 (0.67) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL21326152 | 0.95 | NR1H2 (0.67) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL5458949 | 0.84 | ESR2 (0.52) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL23798545 | 0.82 | NR1H2 (0.60) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL29554982 | 0.82 | NR1H2 (0.60) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL29590844 | 0.82 | ESR2 (1.00) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL2095898 | 0.82 | ESR2 (0.76) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL450677 | 0.82 | ESR2 (1.00) | ESR2NR1H2DDB1CRBNNAMPT | |
| SCHEMBL2056208 | 0.82 | ESR2 (0.76) | ESR2NR1H2DDB1CRBNNAMPT |
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-109863145-B | Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2022-04-12 | — | — | CN | disclosed |