Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21564749 | 0.88 | CYP1A2 (0.41) | OPRM1OPRL1NFKB1CYP2D6CRHR1 | |
| SCHEMBL21564854 | 0.86 | LMNA (0.34) | OPRM1OPRL1MAPTCRHR1RAB9A | |
| SCHEMBL20157925 | 0.84 | ALDH1A1 (0.36) | OPRM1OPRL1MAPTPKM | |
| SCHEMBL21564708 | 0.84 | LMNA (0.43) | MAPTHTTRAB9A | |
| SCHEMBL21550094 | 0.84 | SMN1; SMN2 (0.33) | OPRM1OPRL1NFKB1GAAMAPT | |
| SCHEMBL21550051 | 0.83 | ALDH1A1 (0.38) | GAAMAPTHTTRAB9ANPC1 | |
| SCHEMBL21550102 | 0.79 | NPC1 (0.39) | NFKB1CYP2D6GAAMAPTCRHR1 | |
| SCHEMBL11859495 | 0.78 | MLKL (0.45) | GAAMAPTHTTRAB9ANPC1 | |
| SCHEMBL21550077 | 0.76 | TRPA1 (0.33) | OPRM1OPRL1MAPTPKMRAB9A | |
| SCHEMBL29976363 | 0.76 | ADRB2 (0.48) | ADRB2ADRB1AOC3NFKB1CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |