Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 4/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.42 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | ROS1 | P08922 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | CLK2 | P49760 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 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 | |
|---|---|---|---|---|
| SCHEMBL12567838 | 1.00 | IMPDH2 (0.45) | IMPDH2AKR1C3AKR1C2PTGS2SCD | |
| SCHEMBL12567839 | 0.93 | PIK3CD (0.45) | AKR1C3AKR1C2PTGS2SCDATM | |
| SCHEMBL12508320 | 0.82 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS2ATM | |
| SCHEMBL566973 | 0.81 | LMNA (0.58) | IMPDH2AKT1ROCK1 | |
| SCHEMBL31203257 | 0.81 | LMNA (0.58) | IMPDH2AKT1ROCK1 | |
| SCHEMBL24064830 | 0.81 | IMPDH2 (0.43) | IMPDH2ROCK2ROCK1HIPK2PRMT3 | |
| SCHEMBL11146201 | 0.81 | NAPRT (0.48) | IMPDH2ROCK2ROCK1CYP2C9PRMT3 | |
| SCHEMBL31290786 | 0.81 | IMPDH2 (0.43) | IMPDH2ROCK2ROCK1PRMT3NR3C1 | |
| SCHEMBL567493 | 0.81 | IMPDH2 (0.43) | IMPDH2ROCK2ROCK1PRMT3NR3C1 | |
| Hydrochloric Acid SCHEMBL22129650 | 0.80 | IMPDH2 (0.42) | IMPDH2ROCK2ROCK1PRMT3NR3C1 |
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-117651699-A | Compounds and compositions for the treatment of coronavirus related diseases | 诺华股份有限公司 | 2024-03-05 | — | — | CN | disclosed |