Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29106799 | 0.84 | NPC1 (0.44) | PTGDR2KCNH2FFAR1NPC1RAB9A | |
| SCHEMBL29106796 | 0.83 | NPC1 (0.57) | FFAR1NPC1RAB9AALDH1A1 | |
| SCHEMBL27806654 | 0.82 | CES2 (0.52) | ADRB2ADRB1ADRB3CES2CES1 | |
| SCHEMBL17607318 | 0.81 | NPC1 (0.40) | NPC1RAB9AALDH1A1ADRA1AADRA1B | |
| SCHEMBL29106834 | 0.79 | CA12 (0.48) | FFAR1NPC1RAB9A | |
| SCHEMBL97165 | 0.79 | ADRA1A (0.39) | NPC1RAB9AALDH1A1ADRA1AADRA1B | |
| SCHEMBL29106778 | 0.78 | RARB (0.48) | FFAR1NPC1RAB9A | |
| SCHEMBL1921162 | 0.78 | PTGDR2 (0.43) | PTGDR2KCNH2FFAR1ADRB2ADRB1 | |
| SCHEMBL27469298 | 0.78 | LMNA (0.43) | NPC1RAB9AALDH1A1ADRA1AADRA1B | |
| SCHEMBL29106779 | 0.77 | APP (0.44) | KCNH2FFAR1NPC1RAB9A |
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-116621802-A | Method for synthesizing 3, 4-dibenzoisocoumarin and derivatives thereof through palladium-catalyzed cascade cyclization reaction | 湖南师范大学 | 2023-08-22 | — | — | CN | disclosed |