Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.51 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.48 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.47 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.46 |
| ▸ | NAMPT | P43490 | 4/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2810664 | 1.00 | MAPK1 (0.54) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL8163659 | 0.85 | UCHL1 (0.39) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL23619623 | 0.84 | ESR2 (0.45) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL11997414 | 0.83 | ESR2 (0.55) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL30150268 | 0.83 | ESR2 (0.59) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL1958196 | 0.83 | ESR2 (0.59) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL5776971 | 0.83 | ESR2 (0.50) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL17687111 | 0.83 | ADORA1 (0.44) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL16730890 | 0.82 | ESR2 (0.54) | MAPK1ESR2NR1H2UCHL1SCN9A | |
| SCHEMBL21326028 | 0.82 | ESR2 (0.54) | MAPK1ESR2NR1H2UCHL1SCN9A |
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 |