Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | TTK | P33981 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8811759 | 0.85 | ADORA2A (0.45) | ADORA2AADORA2BADORA3ADORA1GSK3B | |
| SCHEMBL9197465 | 0.84 | MAPK14 (0.55) | SMN1; SMN2RAD51CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9193647 | 0.82 | ADORA2A (0.48) | SMN1; SMN2RAD51LCKADORA2AADORA2B | |
| SCHEMBL9193643 | 0.82 | ADORA2A (0.48) | SMN1; SMN2RAD51LCKADORA2AADORA2B | |
| SCHEMBL9201911 | 0.77 | PARP1 (0.38) | CYP2C9CYP2C19ADORA2AADORA2BADORA3 | |
| SCHEMBL9202371 | 0.76 | NPC1 (0.45) | ADORA2AADORA2BADORA3ADORA1EGFR | |
| SCHEMBL9202366 | 0.76 | NPC1 (0.45) | ADORA2AADORA2BADORA3ADORA1EGFR | |
| SCHEMBL30175330 | 0.75 | CYP11B2 (0.51) | RAD51LCKCYP3A4CYP2A6ADORA2A | |
| SCHEMBL11328355 | 0.74 | TGFBR1 (0.40) | ADORA2AADORA2BADORA3ADORA1GSK3B | |
| SCHEMBL11315744 | 0.74 | NPC1 (0.51) | SMN1; SMN2CYP3A4CYP2C19ADORA2AADORA2B |
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-118556061-A | Disubstituted octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof | 江苏恩华药业股份有限公司 | 2024-08-27 | — | — | CN | disclosed |